C40H49N4O9P Uridin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosforamidit] (ACI)

mahsulot

C40H49N4O9P Uridin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-metil-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosforamidit] (ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Modda tafsilotlari

CAS ro'yxatga olish raqami

110764-79-9

H335, H331, H319, H315, H311, H301+H311+H331, H301

Asosiy jismoniy xususiyatlar Qiymat   Vaziyat
Molekulyar og'irlik 760.81   -
pKa (taxmin qilingan) 9,39±0,10   Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum

N#CCCOP(OC1C(OC(N2C=CC(=O)NC2=O)C1OC)COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C( OC)C=C5)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)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/C40H49N4O9P/c1-27(2)44(28(3)4)54(51-25-11-23-41)53-36-34(52-38(37(36)49-7) 43-24-22-35(45)42-39(43)46)26-50-40(29-1 2-9-8-10-13-29,30-14-18-32(47-5) )19-15-30)31-16-20-33(48-6)21-17-31/h8-10,12-22,24,27-28,34,36-38H,11,25-26H2 ,1-7H3,

(H,42,45,46)/t34-,36-,37-,38-,54?/m1/s1

InChI kaliti

UVUOJOLPNDCIHL-XKZJCBTISA-N

1 Ushbu moddaning boshqa nomi

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

Spektrlar mavjud

Massa

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 254 pH 1; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2050 pH 2; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 15400 pH 3; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 46000 pH 4; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 57500 pH 5; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 58900 pH 6; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 58900 pH 7; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 56800 pH 8; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 42300 pH 9; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 12200 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 389 pH 1; Harorat: 25 °C (1) ACD
Koch 3140 pH 2; Harorat: 25 °C (1) ACD
Koch 23600 pH 3; Harorat: 25 °C (1) ACD
Koch 70500 pH 4; Harorat: 25 °C (1) ACD
Koch 88100 pH 5; Harorat: 25 °C (1) ACD
Koch 90300 pH 6; Harorat: 25 °C (1) ACD
Koch 90200 pH 7; Harorat: 25 °C (1) ACD
Koch 87100 pH 8; Harorat: 25 °C (1) ACD
Koch 64800 pH 9; Harorat: 25 °C (1) ACD
Koch 18700 pH 10; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
logD 4.21 pH 1; Harorat: 25 °C (1) ACD
logD 5.12 pH 2; Harorat: 25 °C (1) ACD
logD 6.00 pH 3; Harorat: 25 °C (1) ACD
logD 6.47 pH 4; Harorat: 25 °C (1) ACD
logD 6.57 pH 5; Harorat: 25 °C (1) ACD
logD 6.58 pH 6; Harorat: 25 °C (1) ACD
logD 6.58 pH 7; Harorat: 25 °C (1) ACD
logD 6.56 pH 8; Harorat: 25 °C (1) ACD
logD 6.44 pH 9; Harorat: 25 °C (1) ACD
logD 5.90 pH 10; Harorat: 25 °C (1) ACD
logP 6,581±0,646 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 8,4 x 10-5 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,019 g/l pH 1; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,4 x 10-3 g/l pH 2; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,1 x 10-4 g/L pH 3; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,1 x 10-4 g/L pH 4; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 8,4 x 10-5 g/l pH 5; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 8,4 x 10-5 g/l pH 6; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 8,4 x 10-5 g/l pH 7; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 8,4 x 10-5 g/l pH 8; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,1 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 8,4 x 10-5 g/l Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 1,1 x 10-7 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,5 x 10-5 mol/l pH 1; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,1 x 10-6 mol/L pH 2; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,1 x 10-7 mol/L pH 3; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-7 mol/L pH 4; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L pH 5; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L pH 6; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L pH 7; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L pH 8; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 1,5 x 10-7 mol/l pH 9; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,2 x 10-7 mol/L pH 10; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molekulyar og'irlik 760.81    
pKa 9,39±0,10 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 18   (1) ACD
H qabul qiluvchilar 13   (1) ACD
H Donorlar 1   (1) ACD
H Donor/akseptor summasi 14   (1) ACD
logP 6,581±0,646 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 760.81    

(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 155 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
H335 Nafas olishning tirnash xususiyati keltirib chiqarishi mumkin Mutaxassis tomonidan tuzilgan
H331 Nafas olishda zaharli Mutaxassis tomonidan tuzilgan
H319 Ko'zning jiddiy tirnash xususiyati keltirib chiqaradi Mutaxassis tomonidan tuzilgan
H315 Terining tirnash xususiyati keltirib chiqaradi Mutaxassis tomonidan tuzilgan

 

Kod Xavf haqida bayonot Manba
H311 Teri bilan aloqa qilganda toksik Mutaxassis tomonidan tuzilgan
H301+H311+H331 Yutilganda, teri bilan aloqa qilganda yoki nafas olayotganda toksik Mutaxassis tomonidan tuzilgan
H301 Yutib yuborilsa toksik Mutaxassis tomonidan tuzilgan

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