118 RE36H44N2O8SI URIDINE, 5'-O- [BIS (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1- dimethylethyl) dimethylsilyl]-(9ci, ACI)
Sifa muhimu za mwili | Thamani | Hali |
Uzito wa Masi | 660.83 | - |
Uzani (uliotabiriwa) | 1.24 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
PKA (alitabiri) | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical O = C1c = Cn (C (= O) N1) C2OC (COC (C = 3C = CC = CC3) (C4 = CC = C (OC) C = C4) C5 = CC = C (OC) C = C5) C (O) C2O [Si] (C) (C) C (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) (C) C) C) C) C) C) C) C) C) C) C) C) C) C) C)
Tabasamu za Isomeric
C (OC [C@H] 1O [C@H] ([C@H] (O [Si] (C (C) (C) C) (C) C) [C @@ H] 1O) N2C (= O) NC (= O) C = C2) (C3 = CC = C (OC) C = C3) (C4 = CC = C)
Inchi
Inchi = 1S/C36H44N2O8SI/C1-35 (2,3) 47 (6,7) 46-32-31 (40) 29 (45-33 (32) 38-22-21-30 (39) 37-34 (38) 41) 23-44-3-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-9-25-9-9-9-9-9-9-9-9-9-9-9-9-9-25 17-27 (42-4) 18-14-25) 26-15-19-28 (43-5) 20-16-26/H8-22,29,31-33,40h, 23h2,1-7h3, (H, 37,39,41)/T29-, 31-, 32-, M1/M1/S1
Ufunguo wa Inchi
KVHQIELPHWJPSY-WXQJJYUTRSA-N
Majina mengine 2 kwa dutu hii
5'-O- [bis (4-methoxyphenyl) phenylmethyl] -2'-O-[(1,1-dimethylethyl) dimethylsilyl] mkojo (ACI); 2'-O-tert-butyldimethylsilyl-5'-o- (4,4'- dimethoxytrityl) mkojo
Spectra inapatikana
1H NMR
13C NMR
Hetero nmr
Misa
Mali inapatikana |
Kibaolojia |
Kemikali |
Wiani |
Lipinski |
Muundo unaohusiana |
Kibaolojia
Mali | Thamani | Hali | Chanzo |
Sababu ya bioconcentration | 2.21 x 105 | pH 1; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.21 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.21 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.21 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.21 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.21 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.20 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 2.12 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 1.54 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
Sababu ya bioconcentration | 42500 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
Mali | Thamani | Hali | Chanzo |
KOC | 2.33 x 105 | pH 1; Temp: 25 ° c | (1) ACD |
KOC | 2.33 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
KOC | 2.33 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
KOC | 2.33 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
KOC | 2.33 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
KOC | 2.33 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
KOC | 2.32 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
KOC | 2.23 x 105 | pH 8; Temp: 25 ° c | (1) ACD |
KOC | 1.62 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
KOC | 44800 | pH 10; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 1; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 2; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 3; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 4; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 5; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 6; Temp: 25 ° c | (1) ACD |
logi | 7.33 | pH 7; Temp: 25 ° c | (1) ACD |
logi | 7.32 | pH 8; Temp: 25 ° c | (1) ACD |
logi | 7.18 | pH 9; Temp: 25 ° c | (1) ACD |
logi | 6.62 | pH 10; Temp: 25 ° c | (1) ACD |
Logp | 7.334 ± 0.643 | Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani | 3.5 x 10-5 g/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 4; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.6 x 10-5 g/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 5.0 x 10-5 g/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 1.9 x 10-4 g/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa wingi | 3.5 x 10-5 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Umumunyifu wa ndani wa molar | 5.3 x 10-8 mol/l | Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
Mali | Thamani | Hali | Chanzo |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.5 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 7.6 x 10-8 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 2.8 x 10-7 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
Umumunyifu wa molar | 5.3 x 10-8 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 660.83 | ||
PKA | 9.39 ± 0.10 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
.
Wiani
Mali | Thamani | Hali | Chanzo |
Wiani | 1.24 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
Kiasi cha molar | 528.8 ± 5.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
Mali | Thamani | Hali | Chanzo |
Vifungo vya mzunguko wa bure | 13 | (1) ACD | |
Wapokeaji | 10 | (1) ACD | |
H wafadhili | 2 | (1) ACD | |
H wafadhili/jumla ya jumla | 12 | (1) ACD | |
Logp | 7.334 ± 0.643 | Temp: 25 ° c | (1) ACD |
Uzito wa Masi | 660.83 |
.
Muundo unaohusiana
Mali | Thamani | Hali | Chanzo |
Eneo la uso wa polar | 116 A2 | (1) ACD |
.
Spectra inapatikana
1H NMR
13C NMR