C39H37N5O7 Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-metil- (9CI, ACI)

mahsulot

C39H37N5O7 Adenozin, N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'- O-metil- (9CI, ACI)

Asosiy ma'lumotlar:


Mahsulot detali

Mahsulot teglari

Jismoniy xususiyatlar

Asosiy jismoniy xususiyatlar Qiymat Vaziyat
Molekulyar og'irlik 687,74 -
Zichlik (taxmin qilingan) 1,32±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)C3OC)C=7C=CC=CC7
Izomerik tabassum
C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)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/C39H37N5O7/c1-47-29-18-14-27(15-19-29)39(26-12-8-5-9-13-26,28-16-20-30(48-) 2)21-17-28)50-22-31-33(45)34(49-3)38(51- 31)44-24-42-32-35(40-23-41-36(32) 44)43-37(46)25-10-6-4-7-11-25/h4-21,23-24,31,33-34,38,45H,22H2,1-3H3,(H,40) ,41,43,46)/t31-,33-,
34-,38-/m1/s1
InChI kaliti
SARHDAQOZNKZCC-CJEGOSRCSA-N
1 Ushbu moddaning boshqa nomi
N-benzoil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-metiladenozin (ACI)

Eksperimental spektrlar

Spektrlar mavjud
1H NMR
13C NMR
Massa

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Zichlik
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 47800 pH 1;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,63 x 105 pH 2;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,16 x 105 pH 3;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,23 x 105 pH 4;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,23 x 105 pH 5;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 2,18 x 105 pH 6;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 1,79 x 105 pH 7;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 64900 pH 8;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 10600 pH 9;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 3110 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 50200 pH 1;Harorat: 25 °C (1) ACD
Koch 1,71 x 105 pH 2;Harorat: 25 °C (1) ACD
Koch 2,26 x 105 pH 3;Harorat: 25 °C (1) ACD
Koch 2,34 x 105 pH 4;Harorat: 25 °C (1) ACD
Koch 2,34 x 105 pH 5;Harorat: 25 °C (1) ACD
Koch 2,29 x 105 pH 6;Harorat: 25 °C (1) ACD
Koch 1,88 x 105 pH 7;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Koch 68 000 pH 8;Harorat: 25 °C (1) ACD
Koch 11200 pH 9;Harorat: 25 °C (1) ACD
Koch 3260 pH 10;Harorat: 25 °C (1) ACD
logD 6.67 pH 1;Harorat: 25 °C (1) ACD
logD 7.21 pH 2;Harorat: 25 °C (1) ACD
logD 7.33 pH 3;Harorat: 25 °C (1) ACD
logD 7.34 pH 4;Harorat: 25 °C (1) ACD
logD 7.34 pH 5;Harorat: 25 °C (1) ACD
logD 7.33 pH 6;Harorat: 25 °C (1) ACD
logD 7.25 pH 7;Harorat: 25 °C (1) ACD
logD 6.80 pH 8;Harorat: 25 °C (1) ACD
logD 6.02 pH 9;Harorat: 25 °C (1) ACD
logD 5.49 pH 10;Harorat: 25 °C (1) ACD
logP 7,344±0,723 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 2,7 x 10-6 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,2 x 10-5 g/l pH 1;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,7 x 10-6 g/l pH 2;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,8 x 10-6 g/l pH 3;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,8 x 10-6 g/l pH 4;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,8 x 10-6 g/l pH 5;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 2,8 x 10-6 g/l pH 6;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,4 x 10-6 g/l pH 7;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 9,6 x 10-6 g/l pH 8;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,7 x 10-5 g/l pH 9;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,9 x 10-4 g/l pH 10;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,4 x 10-6 g/l Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 3,9 x 10-9 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,8 x 10-8 mol/l pH 1;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,4 x 10-9 mol/L pH 2;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,1 x 10-9 mol/L pH 3;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,0 x 10-9 mol/L pH 4;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,0 x 10-9 mol/L pH 5;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 4,0 x 10-9 mol/L pH 6;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,9 x 10-9 mol/L pH 7;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,4 x 10-8 mol/L pH 8;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 8,3 x 10-8 mol/L pH 9;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,8 x 10-7 mol/L pH 10;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 4,9 x 10-9 mol/L Bufersiz suv pH 7.00;Harorat: 25 °C (1) ACD
Molekulyar og'irlik 687,74
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 1,32±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr (1) ACD
Molyar hajm 518,5±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 12 (1) ACD
H qabul qiluvchilar 12 (1) ACD
H Donorlar 2 (1) ACD
H Donor/akseptor summasi 14 (1) ACD
logP 7,344±0,723 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 687,74

(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

Spektrlar mavjud
13C NMR


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