C41H41N5O8 Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-(2-metoksietil)- (9CI, ACI)

mahsulot

C41H41N5O8 Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-(2-metoksietil)- (9CI, ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Jismoniy xususiyatlar

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 731,79 -
Erish nuqtasi (eksperimental) 119-121 ° S -
Zichlik (taxmin qilingan) 1,31±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr
pKa (taxmin qilingan) 7,87±0,43 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6 )C(O)C3OCCOC)C=7C=CC=CC7
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](OCCOC)[C@@H]1O)N2C=3C(N=C2)=C(NC(=O)C4=CC =CC=C4)N=CN3)(C5=CC=C(OC)C=C5)(C6=CC=C(OC)C
=C6)C7=CC=CC=C7
InChI
InChI=1S/C41H41N5O8/c1-49-22-23-52-36-35(47)33(54-40(36)46-26-44-34-37(42-25-43-38(34)) 46)45-39(48)27-10-6-4-7-11-27)24-53- 41(28-12-8-5-9-13-28,29-14-18-31( 50-2)19-15-29)30-16-20-32(51-3)21-17-30/h4-21,25-26,33,35-36,40,47H,22-24H2, 1-3H3, (H,42,43,45,48)/t33-,35-,36-,40-/m1/s1
InChI kaliti
KEVMXGNDTKPSMC-MUMPVVMASA-N
16 Ushbu moddaning boshqa nomlari
N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-(2-metoksietil)adenozin (ACI);17: PN: US20030211606 PAGE: 19 da'vo qilingan ketma-ketlik;18: PN: US20040005569 PAGE: 22 da'vo qilingan ketma-ketlik;20: PN: US20040006030 PAGE: 23 da'vo qilingan ketma-ketlik;20: PN: US20040014047 PAGE: 21 da'vo qilingan ketma-ketlik;20: PN: US20040014049 PAGE: 21 da'vo qilingan ketma-ketlik;21: PN: US20040005570 PAG

E: 20 da'vo qilingan ketma-ketlik;21: PN: US20040014048 PAGE: 21 da'vo qilingan ketma-ketlik;21: PN: US20040014050 PAGE: 20 da'vo qilingan ketma-ketlik;22: PN: US20040005565 PAGE: 17- 22 da'vo qilingan ketma-ketlik;22: PN: US20040014051 PAGE: 23 da'vo qilingan ketma-ketlik;23: PN: US20040 014699 PAGE: 20 da'vo qilingan ketma-ketlik;24: PN: US20040006029 PAGE: 23 da'vo qilingan ketma-ketlik;24: PN: WO03106645 PAGE: 73 da'vo qilingan ketma-ketlik;5'-Dimetoksitritil-2'-O-(2-Metoksietil)-N6-benzoil adenozin;95: PN: US20040005707 SAHIFA: 20 ta daʼvo qilingan ketma-ketlik

Eksperimental xususiyatlar

Xususiyatlari mavjud
Issiqlik

Issiqlik

Mulk Qiymat Vaziyat Manba
Erish nuqtasi 119-121 ° S (1) CAS

(1) Penjarla, Srishylam;Nukleozidlar, nukleotidlar va nuklein kislotalar, (2018), 37(4), 232-247, CAplus

Eksperimental spektrlar

Spektrlar mavjud
1H NMR
13C NMR

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Zichlik
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 31700 pH 1;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,08 x 105 pH 2;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,43 x 105 pH 3;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,48 x 105 pH 4;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,48 x 105 pH 5;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,45 x 105 pH 6;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,19 x 105 pH 7;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 43000 pH 8;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 7050 pH 9;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 2060 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 37400 pH 1;Harorat: 25 °C (1) ACD
Koch 1,28 x 105 pH 2;Harorat: 25 °C (1) ACD
Koch 1,69 x 105 pH 3;Harorat: 25 °C (1) ACD
Koch 1,74 x 105 pH 4;Harorat: 25 °C (1) ACD
Koch 1,74 x 105 pH 5;Harorat: 25 °C (1) ACD
Koch 1,71 x 105 pH 6;Harorat: 25 °C (1) ACD
Koch 1,40 x 105 pH 7;Harorat: 25 °C (1) ACD
Koch 50700 pH 8;Harorat: 25 °C (1) ACD
Koch 8320 pH 9;Harorat: 25 °C (1) ACD
Koch 2430 pH 10;Harorat: 25 °C (1) ACD
logD 6.44 pH 1;Harorat: 25 °C (1) ACD
logD 6.97 pH 2;Harorat: 25 °C (1) ACD
logD 7.09 pH 3;Harorat: 25 °C (1) ACD
logD 7.11 pH 4;Harorat: 25 °C (1) ACD
logD 7.11 pH 5;Harorat: 25 °C (1) ACD
logD 7.10 pH 6;Harorat: 25 °C (1) ACD
logD 7.01 pH 7;Harorat: 25 °C (1) ACD
logD 6.57 pH 8;Harorat: 25 °C (1) ACD
logD 5.78 pH 9;Harorat: 25 °C (1) ACD
logD 5.25 pH 10;Harorat: 25 °C (1) ACD
logP 7,109±0,766 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 5,6 x 10-6 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,6 x 10-5 g/l pH 1;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 7,3 x 10-6 g/l pH 2;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,8 x 10-6 g/l pH 3;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,6 x 10-6 g/l pH 4;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,6 x 10-6 g/l pH 5;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,7 x 10-6 g/l pH 6;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 7,0 x 10-6 g/L pH 7;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Ommaviy eruvchanlik 1,9 x 10-5 g/l pH 8;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-4 g/L pH 9;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,0 x 10-4 g/L pH 10;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 7,0 x 10-6 g/L Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 7,6 x 10-9 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,6 x 10-8 mol/L pH 1;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,0 x 10-8 mol/L pH 2;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 7,9 x 10-9 mol/L pH 3;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 7,7 x 10-9 mol/L pH 4;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 7,7 x 10-9 mol/L pH 5;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 7,8 x 10-9 mol/L pH 6;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 9,6 x 10-9 mol/L pH 7;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,6 x 10-8 mol/L pH 8;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-7 mol/l pH 9;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,5 x 10-7 mol/l pH 10;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 9,5 x 10-9 mol/l Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molekulyar og'irlik 731,79    
pKa 7,87±0,43 Eng kislotali harorat: 25 °C (1) ACD
pKa 1,39±0,10 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 1,31±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr (1) ACD
Molyar hajm 556,9±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
H qabul qiluvchilar 13 (1) ACD
H Donorlar 2 (1) ACD
H Donor/akseptor summasi 15 (1) ACD
 

 

Mulk Qiymat Vaziyat Manba
logP 7,109±0,766 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 731,79    

(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 148 A2 (1) ACD

(1) Ilg'or kimyoni ishlab chiqish (ACD/Labs) V11.02 dasturiy ta'minoti yordamida hisoblangan (© 1994-2023 ACD/Labs)

Bashorat qilingan spektrlar

Spektrlar mavjud
1H NMR
13C NMR


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