C33H35N3O8 Sitidin, N-asetil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-metil- (9CI, ACI)

mahsulot

C33H35N3O8 Sitidin, N-asetil-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 601.65 -
Zichlik (taxmin qilingan) 1,28±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr
pKa (taxmin qilingan) 10,19±0,20 Eng kislotali harorat: 25 °C

Boshqa ismlar va identifikatorlar

Kanonik tabassum O=C1N=C(C=CN1C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O )C2OC)NC(=O)C
Izomerik tabassum C(OC[C@H]1O[C@H]([C@H](OC)[C@@H]1O)N2C(=O)N=C(NC(C)=O)C =C2)(C3=CC=C(OC)C=C3)(C4=CC=C(OC)C=C4)C5=CC=CC=C5
InChI
InChI=1S/C33H35N3O8/c1-21(37)34-28-18-19-36(32(39)35-28)31-30(42-4)29(38)27(44-31)20- 43-33(22-8-6-5-7-9-22,23-10-14-25(40-2) 15-11-23)24-12-16-26(41-3)17- 13-24/h5-19,27,29-31,38H,20H2,1-4H3,(H,34,35,37,39)/t27-,29-,30-,31-/m1/s1
InChI kaliti
FINUHOJILDNELQ-PMFUCWTESA-N
1 Ushbu moddaning boshqa nomi
N-asetil-5'-O-[bis(4-metoksifenil)fenilmetil]-2'-O-metilsitidin (ACI)

Bashorat qilingan xususiyatlar

Xususiyatlari mavjud
Biologik
Kimyoviy
Zichlik
Lipinskiy
Tuzilishi bilan bog'liq

Biologik

Mulk Qiymat Vaziyat Manba
Biokonsentratsiya omili 8.87 pH 1;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 27.8 pH 2;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 171 pH 3;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 515 pH 4;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 650 pH 5;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 668 pH 6;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 668 pH 7;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 657 pH 8;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 560 pH 9;Harorat: 25 °C (1) ACD
Biokonsentratsiya omili 229 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 48.6 pH 1;Harorat: 25 °C (1) ACD
Koch 152 pH 2;Harorat: 25 °C (1) ACD
Koch 935 pH 3;Harorat: 25 °C (1) ACD
Koch 2820 pH 4;Harorat: 25 °C (1) ACD
Koch 3560 pH 5;Harorat: 25 °C (1) ACD
Koch 3660 pH 6;Harorat: 25 °C (1) ACD
Koch 3660 pH 7;Harorat: 25 °C (1) ACD
Koch 3600 pH 8;Harorat: 25 °C (1) ACD
Koch 3070 pH 9;Harorat: 25 °C (1) ACD
Koch 1250 pH 10;Harorat: 25 °C (1) ACD
logD 2.14 pH 1;Harorat: 25 °C (1) ACD
logD 2.64 pH 2;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
logD 3.43 pH 3;Harorat: 25 °C (1) ACD
logD 3.91 pH 4;Harorat: 25 °C (1) ACD
logD 4.01 pH 5;Harorat: 25 °C (1) ACD
logD 4.02 pH 6;Harorat: 25 °C (1) ACD
logD 4.02 pH 7;Harorat: 25 °C (1) ACD
logD 4.01 pH 8;Harorat: 25 °C (1) ACD
logD 3.94 pH 9;Harorat: 25 °C (1) ACD
logD 3.55 pH 10;Harorat: 25 °C (1) ACD
logP 4,021±0,768 Harorat: 25 °C (1) ACD
Massaning ichki eruvchanligi 1,3 x 10-3 g/l Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,10 g/l pH 1;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 0,032 g/l pH 2;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 5,2 x 10-3 g/L pH 3;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,7 x 10-3 g/l pH 4;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,4 x 10-3 g/l pH 5;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,3 x 10-3 g/l pH 6;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,3 x 10-3 g/l pH 7;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,3 x 10-3 g/l pH 8;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,6 x 10-3 g/l pH 9;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 3,9 x 10-3 g/L pH 10;Harorat: 25 °C (1) ACD
Ommaviy eruvchanlik 1,3 x 10-3 g/l Bufersiz suv pH 6,99;Harorat: 25 °C (1) ACD
Molar ichki eruvchanligi 2,2 x 10-6 mol/L Harorat: 25 °C (1) ACD
Molyar eruvchanlik 1,7 x 10-4 mol/L pH 1;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 5,3 x 10-5 mol/L pH 2;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 8,6 x 10-6 mol/L pH 3;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,9 x 10-6 mol/L pH 4;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,3 x 10-6 mol/L pH 5;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,2 x 10-6 mol/L pH 6;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,2 x 10-6 mol/L pH 7;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,2 x 10-6 mol/L pH 8;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 2,6 x 10-6 mol/L pH 9;Harorat: 25 °C (1) ACD
Molyar eruvchanlik 6,4 x 10-6 mol/L pH 10;Harorat: 25 °C (1) ACD

 

Mulk Qiymat Vaziyat Manba
Molyar eruvchanlik 2,2 x 10-6 mol/L Bufersiz suv pH 6,99;Harorat: 25 °C (1) ACD
Molekulyar og'irlik 601.65    
pKa 10,19±0,20 Eng kislotali harorat: 25 °C (1) ACD
pKa 3,57±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)

Zichlik

Mulk Qiymat Vaziyat Manba
Zichlik 1,28±0,1 g/sm3 Harorat: 20 °C;Matbuot: 760 Torr (1) ACD
Molyar hajm 466,5±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 11   (1) ACD
H qabul qiluvchilar 11   (1) ACD
H Donorlar 2   (1) ACD
H Donor/akseptor summasi 13   (1) ACD
logP 4,021±0,768 Harorat: 25 °C (1) ACD
Molekulyar og'irlik 601.65    

(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 128 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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