C20H21NO4 1-pirolidinkarboksilik kislota, 4-gidroksi-2-(gidroksimetil)-, 9H-ftoren-9-ilmetil efir, (2S,4R)- (9CI, ACI)
| Asosiy jismoniy xususiyatlar | Qiymat | Vaziyat |
| Molekulyar og'irlik | 339.39 | - |
| Qaynash nuqtasi (taxmin qilingan) | 549,8±40,0 °C | Matbuot: 760 Torr |
| Zichlik (taxmin qilingan) | 1,318±0,06 g/sm3 | Harorat: 20 °C;Matbuot: 760 Torr |
| pKa (taxmin qilingan) | 14,53±0,40 | Eng kislotali harorat: 25 °C |
Kanonik tabassum O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)N4CC(O)CC4CO
Izomerik tabassum C(OC(=O)N1[C@H](CO)C[C@@H](O)C1)C2C=3C(C=4C2=CC=CC4)=CC=CC3
InChI
InChI=1S/C20H21NO4/c22-11-13-9-14(23)10-21(13)20(24)25-12-19-17-7-3-1-5-15(17)16- 6-2-4-8-18(16)19/h1-8,13-14,19,22-23H,9-12
H2/t13-,14+/m0/s1
InChI kaliti
SCXXARDQPGZAJU-UONOGXRCSA-N
3 Ushbu moddaning boshqa nomlari
1-pirolidinkarboksilik kislota, 4-gidroksi-2-(gidroksimetil)-, 9H-fluoren-9-ilmetil ester, (2S-trans)- (ZCI);9H-Fluoren-9-ilmetil (2S, 4R)-4-gidroksi-2-(gidroksimetil)-1-pirolidinkarboksilat (ACI);(3R,5S)-N-Fmoc-3-gidroksipirolidin-5-metanol
| Xususiyatlari mavjud |
| Biologik |
| Kimyoviy |
| Zichlik |
| Lipinskiy |
| Tuzilishi bilan bog'liq |
| Issiqlik |
Biologik
| Mulk | Qiymat | Vaziyat | Manba |
| Biokonsentratsiya omili | 49.6 | pH 1;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 2;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 3;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 4;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 5;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 6;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 7;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 8;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | pH 9;Harorat: 25 °C | (1) ACD |
| Biokonsentratsiya omili | 49.6 | 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 | 569 | pH 2;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 3;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 4;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 5;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 6;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 7;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 8;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 9;Harorat: 25 °C | (1) ACD |
| Koch | 569 | pH 10;Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| logD | 2.53 | pH 1;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 2;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 3;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 4;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 5;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 6;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 7;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 8;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 9;Harorat: 25 °C | (1) ACD |
| logD | 2.53 | pH 10;Harorat: 25 °C | (1) ACD |
| logP | 2,534±0,636 | Harorat: 25 °C | (1) ACD |
| Massaning ichki eruvchanligi | 0,078 g/l | Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 1;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 2;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 3;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 4;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 5;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 6;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 7;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 8;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 9;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | pH 10;Harorat: 25 °C | (1) ACD |
| Ommaviy eruvchanlik | 0,078 g/l | Bufersiz suv pH 7.00;Harorat: 25 °C | (1) ACD |
| Molar ichki eruvchanligi | 2,3 x 10-4 mol/L | Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 1;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 2;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 3;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 4;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 5;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 6;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 7;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 8;Harorat: 25 °C | (1) ACD |
| Mulk | Qiymat | Vaziyat | Manba |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 9;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | pH 10;Harorat: 25 °C | (1) ACD |
| Molyar eruvchanlik | 2,3 x 10-4 mol/L | Bufersiz suv pH 7.00;Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 339.39 | ||
| pKa | 14,53±0,40 | Eng kislotali harorat: 25 °C | (1) ACD |
| pKa | -3,10±0,60 | Eng asosiy harorat: 25 °C | (1) ACD |
| Bug 'bosimi | 6,35 x 10-13 Torr | 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 | 1,318±0,06 g/sm3 | Harorat: 20 °C;Matbuot: 760 Torr | (1) ACD |
| Molyar hajm | 257,3±3,0 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 | 6 | (1) ACD | |
| H qabul qiluvchilar | 5 | (1) ACD | |
| H Donorlar | 2 | (1) ACD | |
| H Donor/akseptor summasi | 7 | (1) ACD | |
| logP | 2,534±0,636 | Harorat: 25 °C | (1) ACD |
| Molekulyar og'irlik | 339.39 |
(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 | 70,0 A2 | (1) ACD | |
(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)
Issiqlik
| Mulk | Qiymat | Vaziyat | Manba |
| Qaynash nuqtasi | 549,8±40,0 °C | Matbuot: 760 Torr | (1) ACD |
| Bug'lanish entalpiyasi | 87,32±3,0 kJ/mol | Matbuot: 760 Torr | (1) ACD |
| O't olish nuqtasi | 286,3 ± 27,3 ° S | (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
![C31H30N2O7 6H-Furo[2',3':4,5]oksazolo[3,2-a]pirimidin-6-bir, 2-[[bis(4-metoksifenil)fenilmetoksi]metil]-2,3,3a ,9a-tetrahidro-3-gidroksi-7-metil-, (2R,3R,3aS,9aR)- (9CI, ACI)](https://cdn.globalso.com/nvchem/C31H30N2O7-6H-Furo-300x300.jpg)
![C44H49N5O7Si Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine-300x300.jpg)
![C50H58N7O9P Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O-(2-metoksietil)-, 3' - [2-siyanoetil N,N-bis(1-metiletil) ) fosforamidit] (ACI)](https://cdn.globalso.com/nvchem/C50H58N7O9P-Adenosine-300x300.png)
![L-Ornitinamid, L-valil-N5-(aminokarbonil)-N-[4-(gidroksimetil)fenil]- (9CI, ACI) H335, H319, H315, H302](https://cdn.globalso.com/nvchem/L-Ornithinamide-300x300.jpg)
![C20H31NO5 Geptanoik kislota, 3-gidroksi-5-metil-4-[[(fenilmetoksi)karbonil]amino]-, 1,1-dimetiletil efir, [3R-(3R*,4S*,5S*)]- (9CI) H301](https://cdn.globalso.com/nvchem/C20H31NO5-Heptanoic-acid-300x300.jpg)
![C21H21N3O6 Timidin, a – [(1-naftalenilmetil)amino]- a -okso- (ACI)](https://cdn.globalso.com/nvchem/C21H21N3O6-Thymidine-300x300.png)