C50H60N5O10P Sitidin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O- (2-metoksietil)- 5-metil-, 3' - [2-siyanoetil N, N-bis (1-metiletil) fosforamidit] (ACI)

mahsulot

C50H60N5O10P Sitidin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O- (2-metoksietil)- 5-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

163759-94-2

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 922.01 -
pKa (taxmin qilingan) 8,59±0,40 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum

N#CCCOP(OC1C(OC(N2C=C(C(= NC2=O)NC(=O)C=3C=CC=CC3)C1OCCOC)COC(C=4C=CC=CC4)(C5=CC =C(OC)C=C5)C6=CC=C(OC)C=C 6)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](OCCOC)[C@@ H](O1)N2C(=O)N=C(NC(=O)C3=CC=CC=C3)C(C)=C2)(C4=CC =C(OC)C=C4)(C5= CC=C(OC)C=C5)C6=CC=CC=C6

InChI

InChI= 1S/C50H60N5O10P/c1-34(2)55(35(3)4)66(63-29-15-28-51)65-44-43(33-62-50(38-18-13-) 10-14-19-38,39-20-24-41(59-7)25-21-39 )40-22-26-42(60-8)27-23-40)64-48(45() 44)61-31-30-58-6)54-32-36(5)46(53-49(54)57)52-47(56)37-16-11-9-12-17-37/ h9-14,16-27,32,34- 35,43-45,48H,15,29-31,33H2,1-8H3,(H,52,53,56,57)/t43-,44-, 45-,48-,66?/m1/s1

InChI kaliti

FLIGVMLIIDVDSN-GICDFOIUSA-N

26 Ushbu moddaning boshqa nomlari

sitidin,N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-(2-metoksietil)- 5-metil-, 3' - [2-siyanoetil bis(1-metiletil)fosforamidit] (9CI); 12: PN: WO03084478 PAGE: 57 da'vo qilingan DNK; 14: PN: US20030170636 PAGE: 17 da'vo qilingan DNK; 15: PN: U

S20030211606 PAGE: 19 da'vo qilingan DNK; 15: PN: US20030212017 PAGE: 19 da'vo qilingan DNK; 16: PN: US20040005569 PAGE: 22 da'vo qilingan DNK; 17: PN: US20040006030 PAGE: 23 da'vo qilingan DNK; 17: PN: US20040014049 PAGE: 20 da'vo qilingan DNK; 18: PN: US20040014047 PAG E: 20 da'vo qilingan DNK; 18: PN: US20040014048 PAGE: 20 da'vo qilingan DNK; 18: PN: US20040014050 PAGE: 20 da'vo qilingan DNK; 19: PN: U

S20030171313 PAGE: 9 da'vo qilingan DNK; 19: PN: US20030198965 PAGE: 20 da'vo qilingan DNK; 19: PN: US20040005565 PAGE: 17- 22 da'vo qilingan DNK; 19: PN: US20040005570 PAGE: 20 da'vo qilingan DNK; 19: PN: US20040014051 PAGE: 22 da'vo qilingan DNK; 20: PN: US20040014699 PAG

E: 20 da'vo qilingan DNK; 21: PN: US20040006029 PAGE: 23 da'vo qilingan DNK; 21: PN: WO03106645 PAGE: 72 da'vo qilingan DNK; 61: PN: US20030

166592 PAGE: 15 da'vo qilingan DNK; 7: PN: WO2005006958 PAGE: 62 da'vo qilingan DNK; 84: PN: US20040171566 PAGE: 18 da'vo qilingan DNK; 92:

PN: US20040005707 PAGE: 20 da'vo qilingan DNK; 9: PN: WO2005007825 PAGE: 62 da'vo qilingan DNK;N4-benzoil-2' -O-metoksietil-5-O- dimetoksitritil-5-metilsitidin-3' -fosforamidit;N4-benzoil-2' -O-metoksietil-5' -O-dimetoksitritil-5-metilsitidin-3' - amidit

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 171 pH 1; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1250 pH 2; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 47600 pH 3; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 6,44 x 105 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 7,79 x 105 pH 8; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,63 x 105 pH 9; Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 30800 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 106 pH 1; Harorat: 25 °C (1) ACD
Koch 773 pH 2; Harorat: 25 °C (1) ACD
Koch 29500 pH 3; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Koch 3,99 x 105 pH 4; Harorat: 25 °C (1) ACD
Koch 8,02 x 105 pH 5; Harorat: 25 °C (1) ACD
Koch 8,70 x 105 pH 6; Harorat: 25 °C (1) ACD
Koch 8,16 x 105 pH 7; Harorat: 25 °C (1) ACD
Koch 4,83 x 105 pH 8; Harorat: 25 °C (1) ACD
Koch 1,01 x 105 pH 9; Harorat: 25 °C (1) ACD
Koch 19100 pH 10; Harorat: 25 °C (1) ACD
logD 4.48 pH 1; Harorat: 25 °C (1) ACD
logD 5.34 pH 2; Harorat: 25 °C (1) ACD
logD 6.92 pH 3; Harorat: 25 °C (1) ACD
logD 8.06 pH 4; Harorat: 25 °C (1) ACD
logD 8.36 pH 5; Harorat: 25 °C (1) ACD
logD 8.39 pH 6; Harorat: 25 °C (1) ACD
logD 8.37 pH 7; Harorat: 25 °C (1) ACD
logD 8.14 pH 8; Harorat: 25 °C (1) ACD
logD 7.46 pH 9; Harorat: 25 °C (1) ACD
logD 6.73 pH 10; Harorat: 25 °C (1) ACD
logP 8,401±0,723 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 1,4 x 10-4 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,1 g/l pH 1; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,16 g/l pH 2; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,1 x 10-3 g/L pH 3; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,0 x 10-4 g/L pH 4; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,5 x 10-4 g/l pH 5; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,4 x 10-4 g/l pH 6; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,5 x 10-4 g/l pH 7; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,5 x 10-4 g/l pH 8; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-3 g/l pH 9; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 6,3 x 10-3 g/l pH 10; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,5 x 10-4 g/l Bufersiz suv pH 6,97; Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 1,5 x 10-7 mol/l Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,2 x 10-3 mol/L pH 1; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 1,7 x 10-4 mol/L pH 2; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,4 x 10-6 mol/l pH 3; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,2 x 10-7 mol/L pH 4; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-7 mol/l pH 5; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,5 x 10-7 mol/l pH 6; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-7 mol/l pH 7; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,7 x 10-7 mol/L pH 8; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,3 x 10-6 mol/l pH 9; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,8 x 10-6 mol/L pH 10; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-7 mol/l Bufersiz suv pH 6,97; Harorat: 25 °C (1) ACD
Molekulyar og'irlik 922.01    
pKa 8,59±0,40 Eng kislotali harorat: 25 °C (1) ACD
pKa 3,87±0,20 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 22 (1) ACD
H qabul qiluvchilar 15 (1) ACD
H Donorlar 1 (1) ACD
H Donor/akseptor summasi 16 (1) ACD
logP 8,401±0,723 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 922.01

(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 176 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


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