C44H49N5O7Si Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)

mahsulot

C44H49N5O7Si Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-[(1,1-dimetiletil)dimetilsilil]- (9CI, ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Jismoniy xususiyatlar

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 787,98 -
Zichlik (taxmin qilingan) 1,23±0,1 g/sm3 Harorat: 20 °C; Matbuot: 760 Torr
pKa (taxmin qilingan) 7,87±0,43 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum
O=C(NC1=NC=NC2=C1N=CN2C3OC(COC(C=4C=CC=CC4)(C5=CC=C(OC)C=C5)C6=CC=C(OC)C=C6)C (O)C3O[Si](C)(C)C(C)(C)C)C=7C=CC= CC7
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](O[Si](C(C)(C)C)(C)C)[C@@H]1O)N2C= 3C(N=C2)=C(N C(=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/C44H49N5O7Si/c1-43(2,3)57(6,7)56-38-37(50)35(55-42(3) 8)49-28-47-36-39(45-27-46-40(36)49)48-41(51)29-14-10-8-11-15-2 9)26-54-44(30-16-12-9-13-17-30,31-18-22-33(52-4)23-19-31)32-20 -24-34(53-5)25-21-32/h8-25,27-28,35,37-38,42,50H,26H2,1-7H3,(H,
45,46,48,51)/t35-,37-,38-,42-/m1/s1
InChI kaliti
DAZIGOPASNJPCJ-GNECSJIWSA-N
2 Ushbu moddaning boshqa nomlari
N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-[(1,1-dimetiletil) dimetilsilil]adenozin (ACI); N6-benzoil-5'-O-(4,4'- dimetoksitritil)-2'-O-(tert-butildimetilsilil)adenozin

Eksperimental spektrlar

Spektrlar mavjud
1H NMR
Hetero NMR

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Zichlik
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 1,00 x 106 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 5,41 x 105 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 2,01 x 106 pH 1; Harorat: 25 °C (1) ACD
Koch 6,87 x 106 pH 2; Harorat: 25 °C (1) ACD
Koch 9,08 x 106 pH 3; Harorat: 25 °C (1) ACD
Koch 9,38 x 106 pH 4; Harorat: 25 °C (1) ACD
Koch 9,39 x 106 pH 5; Harorat: 25 °C (1) ACD
Koch 9,19 x 106 pH 6; Harorat: 25 °C (1) ACD
Koch 7,53 x 106 pH 7; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Koch 2,73 x 106 pH 8; Harorat: 25 °C (1) ACD
Koch 4,48 x 105 pH 9; Harorat: 25 °C (1) ACD
Koch 1,31 x 105 pH 10; Harorat: 25 °C (1) ACD
logD 9.62 pH 1; Harorat: 25 °C (1) ACD
logD 10.15 pH 2; Harorat: 25 °C (1) ACD
logD 10.27 pH 3; Harorat: 25 °C (1) ACD
logD 10.29 pH 4; Harorat: 25 °C (1) ACD
logD 10.29 pH 5; Harorat: 25 °C (1) ACD
logD 10.28 pH 6; Harorat: 25 °C (1) ACD
logD 10.19 pH 7; Harorat: 25 °C (1) ACD
logD 9.75 pH 8; Harorat: 25 °C (1) ACD
logD 8.97 pH 9; Harorat: 25 °C (1) ACD
logD 8.43 pH 10; Harorat: 25 °C (1) ACD
logP 10,291±0,708 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 1,1 x 10-6 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 4,8 x 10-6 g/l pH 1; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,4 x 10-6 g/l pH 2; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,1 x 10-6 g/l pH 3; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,0 x 10-6 g/L pH 4; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,0 x 10-6 g/L pH 5; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,0 x 10-6 g/L pH 6; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,3 x 10-6 g/l pH 7; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,5 x 10-6 g/l pH 8; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,2 x 10-5 g/L pH 9; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 7,6 x 10-5 g/l pH 10; Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,3 x 10-6 g/l Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 1,4 x 10-9 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,1 x 10-9 mol/L pH 1; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-9 mol/L pH 2; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-9 mol/L pH 3; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,3 x 10-9 mol/L pH 4; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,3 x 10-9 mol/L pH 5; Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 1,3 x 10-9 mol/L pH 6; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-9 mol/L pH 7; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,5 x 10-9 mol/l pH 8; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,8 x 10-8 mol/L pH 9; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 9,6 x 10-8 mol/L pH 10; Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,6 x 10-9 mol/L Bufersiz suv pH 7.00; Harorat: 25 °C (1) ACD
Molekulyar og'irlik 787,98    
pKa 7,87±0,43 Eng kislotali harorat: 25 °C (1) ACD
pKa 1,39±0,10 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)

Zichlik

Mulk Qiymat Vaziyat Manba
Zichlik 1,23±0,1 g/sm3 Harorat: 20 °C; Matbuot: 760 Torr (1) ACD
Molyar hajm 639,5±7,0 sm3/mol Harorat: 20 °C; Matbuot: 760 Torr (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 14   (1) ACD
H qabul qiluvchilar 12   (1) ACD
H Donorlar 2   (1) ACD
H Donor/akseptor summasi 14   (1) ACD
logP 10,291±0,708 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 787,98    

(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

Manba
Qutb yuzasi maydoni 139 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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