![C41H43N3O9 Sitidin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C41H43N3O9 Sitidin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315 Tanlangan rasm](https://cdn.globalso.com/nvchem/C41H43N3O9-Cytidine.jpg)
C41H43N3O9 Sitidin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O- (2-metoksietil)-5-metil- (9CI, ACI) H335, H319, H315
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 721.80 | - |
| Erish nuqtasi (eksperimental) | 107-110 ° S | - |
| Zichlik (taxmin qilingan) | 1,26±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr |
| pKa (taxmin qilingan) | 8,60±0,40 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C1N=C(NC(=O)C=2C=CC=CC2)C(=CN1C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6 =CC=C(OC)C=C6)C(O)C3OCCOC)C
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C(=O)N=C(NC(=O)C3=CC=CC =C3)C(C)=C2)(C4=CC=C(OC)C=C4)(C5=CC=C(OC)C=C5) C6=CC=CC=C6
InChI
InChI=1S/C41H43N3O9/c1-27-25-44(40(47)43-37(27)42-38(46)28-11-7-5-8-12-28)39-36(51- 24-23-48-2)35(45)34(53-39)26-52-41(29-13)
-9-6-10-14-29,30-15-19-32(49-3)20-16-30)31-17-21-33(50-4)22-18-31/h5-22 ,25,34-36,39,45H,23-24,26H2,1-4H3,(H,42,43,46,47)/t34-,3 5-,36-,39-/m1/s1
InChI kaliti
BYSCLUAIKFEFAH-LZURGKRNSA-N
23 Ushbu moddaning boshqa nomlari
N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-(2-metoksietil)-5-metilsitidin (ACI); 10: PN: WO03084478 PAGE: 57 da'vo qilingan RNK; 12: PN: US20030170636 PAGE: 17 da'vo qilingan R NA; 13: PN: US20030212017 PAGE: 19 da'vo qilingan R NA; 14: PN: US20030
211606 PAGE: 19 da'vo qilingan R NA; 15: PN: US20040005569 PAGE: 22 da'vo qilingan R NA; 16: PN: US20040006030 PAGE: 22 da'vo qilingan R NA; 16: PN: US20040014048 PAGE: 20 da'vo qilingan R NA; 17: PN: US20030171313 PAGE: 9 da'vo qilingan R NA; 17: PN: US20040005565 PAGE: 17- 22 da'vo qilingan RNK; 17: PN: US20040005570 PAGE: 20 da'vo qilingan R NA; 17: PN: US20040014047 PAGE: 20 da'vo qilingan R NA; 17: PN: US20040 014050 PAGE: 20 da'vo qilingan R NA; 18: PN: US20030198965 PAGE: 19 da'vo qilingan R NA; 18: PN: US20040014699 PAGE: 20 da'vo qilingan R NA; 19: PN: US20040006029 PAGE: 23 da'vo qilingan R NA; 19: PN: WO03106645 PAGE: 71 da'vo qilingan R NA; 59: PN: US20030166592 PAGE: 15 da'vo qilingan RNK; 6: PN: WO2005006958 PAGE: 62 da'vo qilingan R NA; 83: PN: US20040171566 PAGE: 18 da'vo qilingan R NA; 8: PN: WO2005007825
PAGE: 62 da'vo qilingan R NA; 90: PN: US20040005707 PAGE: 20 da'vo qilingan R NA; N4-benzoil-2'-O-metoksietil-5'-O-dimetoksitritil-5-
metilsitidin
| Xususiyatlari mavjud |
| Termal |
Termal
| Mulk | Qiymat | Vaziyat | Manba |
| Erish nuqtasi | 107-110 ° S | (1) CAS | |
(1) Penjarla, Srishylam; Nukleozidlar, nukleotidlar va nuklein kislotalar, (2018), 37(4), 232-247, CAplus
Spektrlar mavjud
1H NMR
13C NMR
| Xususiyatlari mavjud |
| Biologik |
| Kimyoviy |
| Zichlik |
| Lipinskiy |
| Tuzilishi bilan bog'liq |
Biologik
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 291 | pH 1; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 644 | pH 2; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 3690 | pH 3; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 15600 | pH 4; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 23700 | pH 5; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 24800 | pH 6; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 23300 | pH 7; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 14100 | pH 8; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 3010 | pH 9; Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 558 | pH 10; Harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Kimyoviy
| Mulk | Qiymat | Vaziyat | Manba |
| Koch | 569 | pH 1; Harorat: 25 °C | (1) ACD |
| Koch | 1260 | pH 2; Harorat: 25 °C | (1) ACD |
| Koch | 7210 | pH 3; Harorat: 25 °C | (1) ACD |
| Koch | 30400 | pH 4; Harorat: 25 °C | (1) ACD |
| Koch | 46300 | pH 5; Harorat: 25 °C | (1) ACD |
| Koch | 48500 | pH 6; Harorat: 25 °C | (1) ACD |
| Koch | 45500 | pH 7; Harorat: 25 °C | (1) ACD |
| Koch | 27500 | pH 8; Harorat: 25 °C | (1) ACD |
| Koch | 5890 | pH 9; Harorat: 25 °C | (1) ACD |
| Koch | 1090 | pH 10; Harorat: 25 °C | (1) ACD |
| logD | 4.16 | pH 1; Harorat: 25 °C | (1) ACD |
| logD | 4.50 | pH 2; Harorat: 25 °C | (1) ACD |
| logD | 5.26 | pH 3; Harorat: 25 °C | (1) ACD |
| logD | 5.88 | pH 4; Harorat: 25 °C | (1) ACD |
| logD | 6.07 | pH 5; Harorat: 25 °C | (1) ACD |
| logD | 6.09 | pH 6; Harorat: 25 °C | (1) ACD |
| logD | 6.06 | pH 7; Harorat: 25 °C | (1) ACD |
| logD | 5.84 | pH 8; Harorat: 25 °C | (1) ACD |
| logD | 5.17 | pH 9; Harorat: 25 °C | (1) ACD |
| logD | 4.44 | pH 10; Harorat: 25 °C | (1) ACD |
| logP | 6,093±0,720 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 1,3 x 10-4 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,011 g/l | pH 1; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,0 x 10-3 g/L | pH 2; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 8,7 x 10-4 g/l | pH 3; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 2,1 x 10-4 g/L | pH 4; Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Ommaviy eruvchanlik | 1,4 x 10-4 g/l | pH 5; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,3 x 10-4 g/l | pH 6; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,4 x 10-4 g/l | pH 7; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 2,3 x 10-4 g/l | pH 8; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,1 x 10-3 g/L | pH 9; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 5,8 x 10-3 g/l | pH 10; Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 1,4 x 10-4 g/l | Bufersiz suv pH 6,97; Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 1,8 x 10-7 mol/L | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,5 x 10-5 mol/l | pH 1; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 6,9 x 10-6 mol/L | pH 2; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,2 x 10-6 mol/L | pH 3; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,9 x 10-7 mol/L | pH 4; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,9 x 10-7 mol/L | pH 5; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,8 x 10-7 mol/L | pH 6; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,9 x 10-7 mol/L | pH 7; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 3,2 x 10-7 mol/L | pH 8; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,5 x 10-6 mol/l | pH 9; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 8,0 x 10-6 mol/L | pH 10; Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 1,9 x 10-7 mol/L | Bufersiz suv pH 6,97; Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 721.80 | ||
| pKa | 8,60±0,40 | Eng kislotali harorat: 25 °C | (1) ACD |
| pKa | 3,87±0,20 | Eng asosiy harorat: 25 °C | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Zichlik
| Mulk | Qiymat | Vaziyat | Manba |
| Zichlik | 1,26±0,1 g/sm3 | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
| Molyar hajm | 572,5±7,0 sm3/mol | Harorat: 20 °C; Matbuot: 760 Torr | (1) ACD |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Lipinskiy
| Mulk | Qiymat | Vaziyat | Manba |
| Erkin aylanadigan obligatsiyalar | 15 | (1) ACD | |
| Mulk | Qiymat | Vaziyat | Manba |
| H qabul qiluvchilar | 12 | (1) ACD | |
| H Donorlar | 2 | (1) ACD | |
| H Donor/akseptor summasi | 14 | (1) ACD | |
| logP | 6,093±0,720 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 721.80 |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Tuzilishi bilan bog'liq
| Mulk | Qiymat | Vaziyat | Manba |
| Qutb yuzasi maydoni | 137 A2 | (1) ACD | |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Spektrlar mavjud
1H NMR
13C NMR
| Kod | Xavf haqida bayonot | Manba |
| H335 | Nafas olishning tirnash xususiyati keltirib chiqarishi mumkin | Yevropa kimyo agentligi (ECHA) tasnifi va yorliqlash inventarizatsiyasi - Xabardor qilingan tasnif va yorliqlash - eng keng tarqalgan bildirishnomalar, Yevropa kimyo agentligi (ECHA) tasnifi va etiketkalash inventarizatsiyasi - tasdiqlangan tasnif va etiketkalash - eng jiddiy bildirishnomalar |
| H319 | Ko'zning jiddiy tirnash xususiyati keltirib chiqaradi | Yevropa kimyo agentligi (ECHA) tasnifi va yorliqlash inventarizatsiyasi - Xabardor qilingan tasnif va yorliqlash - eng keng tarqalgan bildirishnomalar, Yevropa kimyo agentligi (ECHA) tasnifi va etiketkalash inventarizatsiyasi - tasdiqlangan tasnif va etiketkalash - eng jiddiy bildirishnomalar |
| H315 | Terining tirnash xususiyati keltirib chiqaradi | Yevropa kimyo agentligi (ECHA) tasnifi va yorliqlash inventarizatsiyasi - Xabardor qilingan tasnif va yorliqlash - eng keng tarqalgan bildirishnomalar, Yevropa kimyo agentligi (ECHA) tasnifi va etiketkalash inventarizatsiyasi - tasdiqlangan tasnif va etiketkalash - eng jiddiy bildirishnomalar |
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