C39H46FN4O8P Uridin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' - ftor-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosforamidit] (ACI) )

mahsulot

C39H46FN4O8P Uridin, 5' -O- [bis(4-metoksifenil)fenilmetil]-2' -deoksi-2' - ftor-, 3' - [2-siyanoetil N,N-bis(1-metiletil)fosforamidit] (ACI) )

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Modda tafsilotlari

CAS ro'yxatga olish raqami

146954-75-8

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 748,78 -
pKa (taxmin qilingan) 9,39±0,10 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=CC(= O)NC5=O)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)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/C39H46FN4O8P/c1-26(2)44(27(3)4)53(50-24-10-22-41)52-36-33(51-37(35(36)40)43- 23-21-34(45)42-38(43)46)25-49-39(28-11 -8-7-9-12-28,29-13-17-31(47-5)18- 14-29)30-15-19-32(48-6)20-16-30/h7-9,11-21,23,26-27,33,35-37H,10,24-25H2,1- 6H3,(H,42,45,46)/t3 3-,35-,36-,37-,53?/m1/s1

InChI kaliti

HQHQPAYRJJMYQX-DJTPZYMWSA-N

1 Ushbu moddaning boshqa nomi

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

Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 457 pH 1;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3690 pH 2;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 27700 pH 3;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 82900 pH 4;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,04 x 105 pH 5;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,06 x 105 pH 6;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,06 x 105 pH 7;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,02 x 105 pH 8;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 76200 pH 9;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 22000 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 592 pH 1;Harorat: 25 °C (1) ACD
Koc 4790 pH 2;Harorat: 25 °C (1) ACD
Koc 36000 pH 3;Harorat: 25 °C (1) ACD
Koc 1,07 x 105 pH 4;Harorat: 25 °C (1) ACD
Koc 1,34 x 105 pH 5;Harorat: 25 °C (1) ACD
Koc 1,38 x 105 pH 6;Harorat: 25 °C (1) ACD
Koc 1,37 x 105 pH 7;Harorat: 25 °C (1) ACD
Koc 1,33 x 105 pH 8;Harorat: 25 °C (1) ACD
Koc 98800 pH 9;Harorat: 25 °C (1) ACD
Koc 28600 pH 10;Harorat: 25 °C (1) ACD
logD 4,55 pH 1;Harorat: 25 °C (1) ACD
logD 5,46 pH 2;Harorat: 25 °C (1) ACD
logD 6,33 pH 3;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
logD 6.81 pH 4;Harorat: 25 °C (1) ACD
logD 6.91 pH 5;Harorat: 25 °C (1) ACD
logD 6.92 pH 6;Harorat: 25 °C (1) ACD
logD 6.92 pH 7;Harorat: 25 °C (1) ACD
logD 6.90 pH 8;Harorat: 25 °C (1) ACD
logD 6.77 pH 9;Harorat: 25 °C (1) ACD
logD 6.23 pH 10;Harorat: 25 °C (1) ACD
logP 6,918±0,641 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 2,2 x 10-5 g/L Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,1 x 10-3 g/L pH 1;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 6,3 x 10-4 g/L pH 2;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 8,2 x 10-5 g/l pH 3;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,8 x 10-5 g/L pH 4;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,2 x 10-5 g/L pH 5;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,2 x 10-5 g/L pH 6;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,2 x 10-5 g/L pH 7;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,2 x 10-5 g/L pH 8;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,0 x 10-5 g/L pH 9;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,0 x 10-4 g/L pH 10;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,2 x 10-5 g/L Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 2,9 x 10-8 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,8 x 10-6 mol/L pH 1;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 8,4 x 10-7 mol/l pH 2;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,1 x 10-7 mol/L pH 3;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,7 x 10-8 mol/L pH 4;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,0 x 10-8 mol/L pH 5;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,9 x 10-8 mol/L pH 6;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,9 x 10-8 mol/L pH 7;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,0 x 10-8 mol/L pH 8;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,0 x 10-8 mol/L pH 9;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-7 mol/L pH 10;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,9 x 10-8 mol/L Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molekulyar og'irlik 748,78    
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 17   (1) ACD
H qabul qiluvchilar 12   (1) ACD
H Donorlar 1   (1) ACD
H Donor/akseptor summasi 13   (1) ACD
logP 6,918±0,641 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 748,78    

(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 145 A2 (1) ACD

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


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