C53H66N7O8PSi CAS NO.: 104992-55-4 Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O- [(1,1-dimetiletil) dimetilsilil]-, 3' – [2-siyanoetil N,N-bis(1- metiletil)fosforamidit] (ACI)

mahsulot

C53H66N7O8PSi CAS NO.: 104992-55-4 Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O- [(1,1-dimetiletil) dimetilsilil]-, 3' – [2-siyanoetil N,N-bis(1- metiletil)fosforamidit] (ACI)

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Modda tafsilotlari

CAS ro'yxatga olish raqami

104992-55-4

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 988.19 -
pKa (taxmin qilingan) 7,87±0,43 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum

N#CCCOP(OC1C(OC(N2C= NC=3C(= NC= NC32)NC(=O)C=4C=CC=CC4)C1O[Si](C)(C)C(C)(C)C )COC(C=5C=CC=CC5)(C6=CC=C(OC)C=C6)C7= CC=C(OC)C=C7)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](O[Si](C) (C)(C)C)(C)C)[C@@H](O1)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/C53H66N7O8PSi/c1-36(2)60(37(3)4)69(65-32-18-31-54)67-46-44(33-64-53(39-21-16-13-) 17-22-39,40-23-27-42(62-8)28-24-40 )41-25-29-43(63-9)30-26-41)66-51(47(46)68-70(10,11)52(5,6)7)59 -35-57-45-48(55-34-56-49(45)59)58-50(61)38-19-14-12-15-20-38/h1 2-17,19-30,34-37,44,46-47,51H,18,32-33H2,1-11H3,(H,55,56,58,61)/t44-,46-,47- ,51-,69?/m1/s1

InChI kaliti

FFXHNCNNHASXCT-RFMFGJHUSA-N

1 Ushbu moddaning boshqa nomi

adenozin,N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O- [(1,1-dimetiletil)dimetilsilil]-, 3' - [2-siyanoetil bis(1-metiletil)fosforamidit] (9CI)

Eksperimental spektrlar

Spektrlar mavjud
Massa

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 5,50 x 105 pH 1; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 2; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 3; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 4; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 5; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 6; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 7; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 8; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 pH 9; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,00 x 106 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 61500 pH 1; Harorat: 25 °C (1) ACD
Koch 1,64 x 106 pH 2; Harorat: 25 °C (1) ACD
Koch 1,00 x 107 pH 3; Harorat: 25 °C (1) ACD
Koch 1,00 x 107 pH 4; Harorat: 25 °C (1) ACD
Koch 1,00 x 107 pH 5; Harorat: 25 °C (1) ACD
Koch 1,00 x 107 pH 6; Harorat: 25 °C (1) ACD
Koch 1,00 x 107 pH 7; Harorat: 25 °C (1) ACD
Koch 1,00 x 107 pH 8; Harorat: 25 °C (1) ACD
Koch 3,20 x 106 pH 9; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Koch 9,24 x 105 pH 10; Harorat: 25 °C (1) ACD
logD 8.81 pH 1; Harorat: 25 °C (1) ACD
logD 10.24 pH 2; Harorat: 25 °C (1) ACD
logD 11.24 pH 3; Harorat: 25 °C (1) ACD
logD 11.73 pH 4; Harorat: 25 °C (1) ACD
logD 11.83 pH 5; Harorat: 25 °C (1) ACD
logD 11.83 pH 6; Harorat: 25 °C (1) ACD
logD 11.75 pH 7; Harorat: 25 °C (1) ACD
logD 11.31 pH 8; Harorat: 25 °C (1) ACD
logD 10.53 pH 9; Harorat: 25 °C (1) ACD
logD 9.99 pH 10; Harorat: 25 °C (1) ACD
logP 11,845±0,715 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 1,2 x 10-5 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,5 x 10-3 g/l pH 1; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,1 x 10-4 g/L pH 2; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,9 x 10-6 g/l pH 3; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,4 x 10-6 g/l pH 4; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,7 x 10-6 g/l pH 5; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,7 x 10-6 g/l pH 6; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,2 x 10-6 g/l pH 7; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 8,9 x 10-6 g/l pH 8; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 6,3 x 10-5 g/l pH 9; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,2 x 10-4 g/l pH 10; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,2 x 10-6 g/l Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 1,2 x 10-8 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,5 x 10-6 mol/l pH 1; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L pH 2; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,0 x 10-8 mol/L pH 3; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,4 x 10-9 mol/L pH 4; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,7 x 10-9 mol/L pH 5; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,7 x 10-9 mol/L pH 6; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,2 x 10-9 mol/L pH 7; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 9,0 x 10-9 mol/L pH 8; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,4 x 10-8 mol/L pH 9; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,2 x 10-7 mol/L pH 10; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,2 x 10-9 mol/L Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molekulyar og'irlik 988.19
pKa 7,87±0,43 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 21   (1) ACD
H qabul qiluvchilar 15   (1) ACD
H Donorlar 1   (1) ACD
H Donor/akseptor summasi 16   (1) ACD
logP 11,845±0,715 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 988.19    

Foydalanib hisoblangan

Mulk Qiymat Vaziyat manbai
Qutb yuzasi maydoni 178 A2 (1) ACD

Tuzilishi bilan bog'liq

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

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

Bashorat qilingan spektrlar

Spektrlar mavjud
1H NMR
13C NMR


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