C44H53FN7O8 Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' - ftor-N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil N, N-bis(1-metil etil)fosforamidit] (ACI)

mahsulot

C44H53FN7O8 Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' - ftor-N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil N, N-bis(1-metil etil)fosforamidit] (ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Modda tafsilotlari

CAS ro'yxatga olish raqami

144089-97-4

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 857,91 -
pKa (taxmin qilingan) 9,16±0,20 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum

N#CCCOP(OC1C(F)C(OC1COC(C=2C=CC=CC2)(C3=CC=C(OC)C=C3)C4=CC=C(OC)C=C4)N5C= NC=6C (=O)N=C(NC(=O)C(C)C)NC65)N(C(C) C)C(C)C

Izomerik tabassum

C(OC[C@@H]1[C@@H](OP(N(C(C)C)C(C)C)OCCC#N)[C@@H](F)[C@@ H](O1)N2C3=C(N=C2)C(=O)N=C(NC(C(C)C)=O)N3)(C4=CC=C(OC)C =C4)(C5 =CC=C(OC)C=C5)C6=CC=CC=C6

InChI

InChI= 1S/C44H53FN7O8P/c1-27(2)40(53)49-43-48-39-37(41(54)50-43)47-26-51(39)42-36(45)38( 60-61(58-24-12-23-46)52(28(3)4)29(5) 6)35(59-42)25-57-44(30-13-10-9-11- 14-30,31-15-19-33(55-7)20-16-31)32-17-21-34(56-8)22-18-32/h9-11,13-22,26- 29,35-36,38,42H,12, 24-25H2,1-8H3,(H2,48,49,50,53,54)/t35-,36-,38-,42-,61?/m1 /s1

InChI kaliti

KJFUMXZZVYMQEU-AOCJBPQJSA-N

1 Ushbu moddaning boshqa nomi

Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' -ftor-N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil bis(1-metil etil)fosforamidit] (9CI)

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 298 pH 1; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 6350 pH 2; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 57800 pH 3; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,76 x 105 pH 4; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,21 x 105 pH 5; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,26 x 105 pH 6; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,24 x 105 pH 7; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,03 x 105 pH 8; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,04 x 105 pH 9; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 19300 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 qiymati Vaziyat Manba
Koc 312 pH 1; Harorat: 25 °C (1) ACD
Koc 6630 pH 2; Harorat: 25 °C (1) ACD
Koc 60400 pH 3; Harorat: 25 °C (1) ACD
Koc 1,84 x 105 pH 4; Harorat: 25 °C (1) ACD
Koc 2,31 x 105 pH 5; Harorat: 25 °C (1) ACD
Koc 2,37 x 105 pH 6; Harorat: 25 °C (1) ACD
Koc 2,35 x 105 pH 7; Harorat: 25 °C (1) ACD
Koc 2,12 x 105 pH 8; Harorat: 25 °C (1) ACD
Koc 1,08 x 105 pH 9; Harorat: 25 °C (1) ACD
Koc 20200 pH 10; Harorat: 25 °C (1) ACD
logD 4,47 pH 1; Harorat: 25 °C (1) ACD
logD 5,80 pH 2; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
logD 6.76 pH 3; Harorat: 25 °C (1) ACD
logD 7.24 pH 4; Harorat: 25 °C (1) ACD
logD 7.34 pH 5; Harorat: 25 °C (1) ACD
logD 7.35 pH 6; Harorat: 25 °C (1) ACD
logD 7.35 pH 7; Harorat: 25 °C (1) ACD
logD 7.30 pH 8; Harorat: 25 °C (1) ACD
logD 7.01 pH 9; Harorat: 25 °C (1) ACD
logD 6.28 pH 10; Harorat: 25 °C (1) ACD
logP 7,351±0,713 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 3,0 x 10-5 g/L Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,022 g/l pH 1; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,0 x 10-3 g/L pH 2; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-4 g/l pH 3; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,9 x 10-5 g/L pH 4; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,1 x 10-5 g/L pH 5; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,0 x 10-5 g/L pH 6; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,0 x 10-5 g/L pH 7; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,3 x 10-5 g/l pH 8; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 6,5 x 10-5 g/l pH 9; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,5 x 10-4 g/l pH 10; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,0 x 10-5 g/L Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 3,5 x 10-8 mol/l Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,6 x 10-5 mol/L pH 1; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,2 x 10-6 mol/L pH 2; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-7 mol/L pH 3; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,5 x 10-8 mol/l pH 4; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,6 x 10-8 mol/l pH 5; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,5 x 10-8 mol/l pH 6; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,5 x 10-8 mol/l pH 7; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,9 x 10-8 mol/L pH 8; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 7,6 x 10-8 mol/L pH 9; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,1 x 10-7 mol/L pH 10; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 3,5 x 10-8 mol/l Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molekulyar og'irlik 857,91    
pKa 9,16±0,20 Eng kislotali harorat: 25 °C (1) ACD
pKa 3,45±0,70 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)

Tuzilishi bilan bog'liq

Mulk Qiymat Vaziyat manbai
Qutb yuzasi maydoni 184 A2 (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 18   (1) ACD
H qabul qiluvchilar 15   (1) ACD
H Donorlar 2   (1) ACD
H Donor/akseptor summasi 17   (1) ACD
logP 7,351±0,713 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 857,91    

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


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