C30H29FN2O7 Uridin, 5'-O-[bis(4-metoksifenil)fenilmetil]-2'-deoksi-2'- ftor- (9CI, ACI)

mahsulot

C30H29FN2O7 Uridin, 5'-O-[bis(4-metoksifenil)fenilmetil]-2'-deoksi-2'- ftor- (9CI, ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Jismoniy xususiyatlar

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 548,56 -
Erish nuqtasi (eksperimental) 118-120 ° S -
Zichlik (taxmin qilingan) 1,38±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr
pKa (taxmin qilingan) 9,39±0,10 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C= C5)C(O)C2F
Izomerik tabassum C(OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)N2C(=O)NC(=O)C=C2)(C3= CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C30H29FN2O7/c1-37-22-12-8-20(9-13-22)30(19-6-4-3-5-7-19,21-10-14-23(38-) 2)15-11-21)39-18-24-27(35)26(31)28(40-24)33
-17-16-25(34)32-29(33)36/h3-17,24,26-28,35H,18H2,1-2H3,(H,32,34,36)/t24-,26- ,27-,28-/m1/s1
InChI kaliti
CSSFZSSZXOCCJB-YULOIDQLSA-N
1 Ushbu moddaning boshqa nomi
5'-O-[Bis(4-metoksifenil)fenilmetil]-2'-deoksi-2'-ftoruridin (ACI)

Eksperimental xususiyatlar

Xususiyatlari mavjud
Issiqlik

Issiqlik

Mulk Qiymat Vaziyat Manba
Erish nuqtasi 118-120 ° 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 3580 pH 1;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3580 pH 2;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3580 pH 3;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3580 pH 4;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3580 pH 5;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3580 pH 6;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3570 pH 7;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3430 pH 8;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2500 pH 9;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 689 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 12200 pH 1;Harorat: 25 °C (1) ACD
Koch 12200 pH 2;Harorat: 25 °C (1) ACD
Koch 12200 pH 3;Harorat: 25 °C (1) ACD
Koch 12200 pH 4;Harorat: 25 °C (1) ACD
Koch 12200 pH 5;Harorat: 25 °C (1) ACD
Koch 12200 pH 6;Harorat: 25 °C (1) ACD
Koch 12100 pH 7;Harorat: 25 °C (1) ACD
Koch 11700 pH 8;Harorat: 25 °C (1) ACD
Koch 8480 pH 9;Harorat: 25 °C (1) ACD
Koch 2340 pH 10;Harorat: 25 °C (1) ACD
logD 4.98 pH 1;Harorat: 25 °C (1) ACD
logD 4.98 pH 2;Harorat: 25 °C (1) ACD
logD 4.98 pH 3;Harorat: 25 °C (1) ACD
logD 4.98 pH 4;Harorat: 25 °C (1) ACD
logD 4.98 pH 5;Harorat: 25 °C (1) ACD
logD 4.98 pH 6;Harorat: 25 °C (1) ACD
logD 4.98 pH 7;Harorat: 25 °C (1) ACD
logD 4.96 pH 8;Harorat: 25 °C (1) ACD
logD 4.82 pH 9;Harorat: 25 °C (1) ACD
logD 4.26 pH 10;Harorat: 25 °C (1) ACD
logP 4,979±0,563 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 9,9 x 10-5 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 1;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 2;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 3;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 4;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 5;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 6;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 7;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-5 g/l pH 8;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,4 x 10-4 g/l pH 9;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,0 x 10-4 g/L pH 10;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Ommaviy eruvchanlik 9,9 x 10-5 g/l Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 1,8 x 10-7 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-7 mol/L pH 1;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-7 mol/L pH 2;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-7 mol/L pH 3;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-7 mol/L pH 4;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 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 1,8 x 10-7 mol/L pH 7;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-7 mol/L pH 8;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,5 x 10-7 mol/l pH 9;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 9,2 x 10-7 mol/L pH 10;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-7 mol/L Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molekulyar og'irlik 548,56    
pKa 9,39±0,10 Eng kislotali 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 1,38±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr (1) ACD
Molyar hajm 395,8±5,0 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 10   (1) ACD
H qabul qiluvchilar 9   (1) ACD
H Donorlar 2   (1) ACD
H Donor/akseptor summasi 11   (1) ACD
logP 4,979±0,563 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 548,56    

(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 107 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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