C50H58N7O9P Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O-(2-metoksietil)-, 3' - [2-siyanoetil N,N-bis(1-metiletil) ) fosforamidit] (ACI)

mahsulot

C50H58N7O9P Adenozin, N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' - O-(2-metoksietil)-, 3' - [2-siyanoetil N,N-bis(1-metiletil) ) fosforamidit] (ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Modda tafsilotlari

CAS ro'yxatga olish raqami

251647-53-7

H302

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 932.01 -
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)C1OCCOC)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](OCCOC)[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/C50H58N7O9P/c1-34(2)57(35(3)4)67(64-28-14-27-51)66-44-42(31-63-50(37-17-12-) 9-13-18-37,38-19-23-40(60-6)24-20-38)3 9-21-25-41(61-7)26-22-39)65-49(45) (44)62-30-29-59-5)56-33-54-43-46(52-32-53-47(43)56)55-48(58)36-15-10-8-11 -16-36/h8-13,15-26, 32-35,42,44-45,49H,14,28-31H2,1-7H3,(H,52,53,55,58)/t42-, 44-,45-,49-,67?/m1/s1

InChI kaliti

VPBYBQBHLYRLHG-HDMAWCRFSA-N

16 Ushbu moddaning boshqa nomlari

adenozin,N-benzoil-5' -O- [bis(4-metoksifenil)fenilmetil]-2' -O-(2-metoksietil)-, 3' - [2-siyanoetil bis(1-metiletil)

fosforamidit] (9CI);16: PN: US20030211606 PAGE: 19 da'vo qilingan ketma-ketlik;16: PN: US20030212017 PAGE: 20 da'vo qilingan ketma-ketlik;17: PN: US20040005569 PAGE: 22 da'vo qilingan ketma-ketlik;19: PN: US20040006030 PAGE: 23 da'vo qilingan ketma-ketlik;19: PN: US20040014047

PAGE: 21 da'vo qilingan ketma-ketlik;19: PN: US20040014049 PAGE: 21 da'vo qilingan ketma-ketlik;20: PN: US20040005570 PAGE: 20 daʼvo qilingan

ketma-ketlik;20: PN: US20040014048 PAGE: 21 da'vo qilingan ketma-ketlik;20: PN: US20040014050 PAGE: 20 da'vo qilingan ketma-ketlik;21: PN: U

S20040005565 PAGE: 17- 22 da'vo qilingan ketma-ketlik;21: PN: US20040014051 PAGE: 23 da'vo qilingan ketma-ketlik;22: PN: US20040014699 PAGE: 20 da'vo qilingan ketma-ketlik;23: PN: US20040006029 PAGE: 23 da'vo qilingan ketma-ketlik;23: PN: WO03106645 PAGE: 73 da'vo qilingan ketma-ketlik;94: P N: US20040005707 SAHIFA: 20 daʼvo qilingan ketma-ketlik

Eksperimental spektrlar

Spektrlar mavjud
1H NMR
13C NMR
Hetero NMR

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 2680 pH 1;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 71500 pH 2;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 7,21 x 105 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 8,48 x 105 pH 8;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,39 x 105 pH 9;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 40300 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 1360 pH 1;Harorat: 25 °C (1) ACD
Koch 36300 pH 2;Harorat: 25 °C (1) ACD
Koch 3,66 x 105 pH 3;Harorat: 25 °C (1) ACD
Koch 1,13 x 106 pH 4;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Koch 1,42 x 106 pH 5;Harorat: 25 °C (1) ACD
Koch 1,42 x 106 pH 6;Harorat: 25 °C (1) ACD
Koch 1,17 x 106 pH 7;Harorat: 25 °C (1) ACD
Koch 4,30 x 105 pH 8;Harorat: 25 °C (1) ACD
Koch 70800 pH 9;Harorat: 25 °C (1) ACD
Koch 20500 pH 10;Harorat: 25 °C (1) ACD
logD 5.77 pH 1;Harorat: 25 °C (1) ACD
logD 7.20 pH 2;Harorat: 25 °C (1) ACD
logD 8.20 pH 3;Harorat: 25 °C (1) ACD
logD 8.69 pH 4;Harorat: 25 °C (1) ACD
logD 8.79 pH 5;Harorat: 25 °C (1) ACD
logD 8.79 pH 6;Harorat: 25 °C (1) ACD
logD 8.71 pH 7;Harorat: 25 °C (1) ACD
logD 8.27 pH 8;Harorat: 25 °C (1) ACD
logD 7.49 pH 9;Harorat: 25 °C (1) ACD
logD 6.95 pH 10;Harorat: 25 °C (1) ACD
logP 8,803±0,766 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 5,4 x 10-5 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,051 g/l pH 1;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,9 x 10-3 g/L pH 2;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,9 x 10-4 g/l pH 3;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 6,0 x 10-5 g/L pH 4;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,8 x 10-5 g/l pH 5;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,8 x 10-5 g/l pH 6;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,8 x 10-5 g/l pH 7;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,6 x 10-4 g/l pH 8;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,3 x 10-4 g/l pH 9;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,6 x 10-3 g/L pH 10;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,7 x 10-5 g/l Bufersiz suv pH 6,97;Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 5,8 x 10-8 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,5 x 10-5 mol/l pH 1;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,0 x 10-6 mol/L pH 2;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 2,0 x 10-7 mol/L pH 3;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,4 x 10-8 mol/L pH 4;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,1 x 10-8 mol/L pH 5;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,1 x 10-8 mol/L pH 6;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,2 x 10-8 mol/L pH 7;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,7 x 10-7 mol/L pH 8;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,0 x 10-6 mol/L pH 9;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 3,9 x 10-6 mol/L pH 10;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,1 x 10-8 mol/L Bufersiz suv pH 6,97;Harorat: 25 °C (1) ACD
Molekulyar og'irlik 932.01    
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 22   (1) ACD
H qabul qiluvchilar 16   (1) ACD
H Donorlar 1   (1) ACD
H Donor/akseptor summasi 17   (1) ACD
logP 8,803±0,766 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 932.01    

(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 187 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 bayonoti manbasi
H302 Yutilganda zararli Evropa kimyo agentligi (ECHA) tasniflash va etiketlash

Inventarizatsiya - Xabar qilingan tasnif va etiketka - eng keng tarqalgan bildirishnomalar, Evropa kimyo agentligi (ECHA)

Tasniflash va etiketkalash inventarizatsiyasi - Xabardor qilingan tasnif va etiketkalar - eng jiddiy bildirishnomalar


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