C45H56N7O9P Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil- N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil N, N-bis (1-metiletil) fosforamidit] (ACI)

mahsulot

C45H56N7O9P Guanozin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil- N-(2-metil-1-oksopropil)-, 3' - [2-siyanoetil N, N-bis (1-metiletil) fosforamidit] (ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Modda tafsilotlari

CAS ro'yxatga olish raqami

150780-67-9

H303

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 869,94 -
pKa (taxmin qilingan) 9,16±0,20 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

N#CCCOP(OC1C(OC(N2C= NC=3C(=O)N=C(NC(=O)C(C)C)NC32)C1OC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C6)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](OC)[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/C45H56N7O9P/c1-28(2)41(53)49-44-48-40-37(42(54)50-44)47-27-51(40)43-39(57-9) 38(61-62(59-25-13-24-)

46)52(29(3)4)30(5)6)36(60-43)26-58-45(31-14-11-10-12-15-31,32-1 6-20-34(55-7)21-17-32)33-18-22-35(56-8)23-19-33/h10-12,14-23,27 -30,36,38-39,43H,13,25-26H2,1-9H3,(H2,48,49,50,53,54)/t36-,38-,39-,43-,62?/ m1/s1

InChI kaliti

IRRDHRZUOZNWDJ-MLLDKZSOSA-N

1 Ushbu moddaning boshqa nomi

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

Eksperimental spektrlar

Spektrlar mavjud
13C NMR
Hetero NMR

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 183 pH 1; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3890 pH 2; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 35500 pH 3; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,08 x 105 pH 4; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,36 x 105 pH 5; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,39 x 105 pH 6; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,38 x 105 pH 7; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,24 x 105 pH 8; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 63600 pH 9; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 11900 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 220 pH 1; Harorat: 25 °C (1) ACD
Koch 4680 pH 2; Harorat: 25 °C (1) ACD
Koch 42600 pH 3; Harorat: 25 °C (1) ACD
Koch 1,30 x 105 pH 4; Harorat: 25 °C (1) ACD
Koch 1,63 x 105 pH 5; Harorat: 25 °C (1) ACD
Koch 1,67 x 105 pH 6; Harorat: 25 °C (1) ACD
Koch 1,65 x 105 pH 7; Harorat: 25 °C (1) ACD
Koch 1,49 x 105 pH 8; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Koch 76400 pH 9; Harorat: 25 °C (1) ACD
Koch 14200 pH 10; Harorat: 25 °C (1) ACD
logD 4.19 pH 1; Harorat: 25 °C (1) ACD
logD 5.52 pH 2; Harorat: 25 °C (1) ACD
logD 6.48 pH 3; Harorat: 25 °C (1) ACD
logD 6.96 pH 4; Harorat: 25 °C (1) ACD
logD 7.06 pH 5; Harorat: 25 °C (1) ACD
logD 7.07 pH 6; Harorat: 25 °C (1) ACD
logD 7.07 pH 7; Harorat: 25 °C (1) ACD
logD 7.02 pH 8; Harorat: 25 °C (1) ACD
logD 6.73 pH 9; Harorat: 25 °C (1) ACD
logD 6.00 pH 10; Harorat: 25 °C (1) ACD
logP 7,072±0,721 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 1,2 x 10-4 g/L Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,096 g/l pH 1; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,3 x 10-3 g/l pH 2; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,8 x 10-4 g/l pH 3; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,6 x 10-4 g/l pH 4; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-4 g/L pH 5; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-4 g/L pH 6; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-4 g/L pH 7; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,4 x 10-4 g/l pH 8; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,7 x 10-4 g/l pH 9; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,4 x 10-3 g/l pH 10; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-4 g/L Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 1,4 x 10-7 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-4 mol/L pH 1; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,0 x 10-6 mol/L pH 2; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,5 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 1,4 x 10-7 mol/L pH 5; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-7 mol/L pH 6; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 1,4 x 10-7 mol/L pH 7; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-7 mol/l pH 8; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,1 x 10-7 mol/L pH 9; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-6 mol/l pH 10; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-7 mol/L Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molekulyar og'irlik 869,94    
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)

Lipinskiy

Mulk Qiymat Vaziyat Manba
Erkin aylanadigan obligatsiyalar 19   (1) ACD
H qabul qiluvchilar 16   (1) ACD
H Donorlar 2   (1) ACD
H Donor/akseptor summasi 18   (1) ACD
logP 7,072±0,721 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 869,94    

(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 194 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

GHS xavf bayonotlari

Kod Xavf haqida bayonot Manba
H303 Yutib yuborilsa, zararli bo'lishi mumkin Mutaxassis tomonidan tuzilgan

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