![C44H49N5O7si adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimethylethyl) dimethylsilyl]-(9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C44H49N5O7si adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimethylethyl) dimethylsilyl]-(9ci, ACI) picha iliyoonyeshwa](https://cdn.globalso.com/nvchem/C44H49N5O7Si-Adenosine.jpg)
C44H49N5O7si adenosine, n-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-[(1,1-dimethylethyl) dimethylsilyl]-(9ci, ACI)
| Sifa muhimu za mwili | Thamani | Hali |
| Uzito wa Masi | 787.98 | - |
| Uzani (uliotabiriwa) | 1.23 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
| PKA (alitabiri) | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. |
Tabasamu za Canonical
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)
Tabasamu za Isomeric
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 (38) 49-28-47-36-39 (45-27-46-40 (36) 48-41 (511-41-41 (51-41-41 (51-41-41-41 (56) 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/H8-25,27-28,35,37-38,5h2, 26, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 26
45,46,48,51)/t35-, 37-, 38-, 42-/m1/s1
Ufunguo wa Inchi
Dazigopasnjpcj-GNECSJIWSA-n
Majina mengine 2 kwa dutu hii
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-[(1,1-dimethylethyl) dimethylsilyl] adenosine (ACI); N6-benzoyl-5'-o- (4,4'- dimethoxytrityl) -2'-o- (tert-butyldimethylsilyl) adenosine
Spectra inapatikana
1H NMR
Hetero nmr
| Mali inapatikana |
| Kibaolojia |
| Kemikali |
| Wiani |
| Lipinski |
| Muundo unaohusiana |
Kibaolojia
| Mali | Thamani | Hali | Chanzo |
| Sababu ya bioconcentration | 1.00 x 106 | pH 1; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 2; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 3; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 4; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 5; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 6; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 7; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 8; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.00 x 106 | pH 9; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 5.41 x 105 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
| Mali | Thamani | Hali | Chanzo |
| KOC | 2.01 x 106 | pH 1; Temp: 25 ° c | (1) ACD |
| KOC | 6.87 x 106 | pH 2; Temp: 25 ° c | (1) ACD |
| KOC | 9.08 x 106 | pH 3; Temp: 25 ° c | (1) ACD |
| KOC | 9.38 x 106 | pH 4; Temp: 25 ° c | (1) ACD |
| KOC | 9.39 x 106 | pH 5; Temp: 25 ° c | (1) ACD |
| KOC | 9.19 x 106 | pH 6; Temp: 25 ° c | (1) ACD |
| KOC | 7.53 x 106 | pH 7; Temp: 25 ° c | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| KOC | 2.73 x 106 | pH 8; Temp: 25 ° c | (1) ACD |
| KOC | 4.48 x 105 | pH 9; Temp: 25 ° c | (1) ACD |
| KOC | 1.31 x 105 | pH 10; Temp: 25 ° c | (1) ACD |
| logi | 9.62 | pH 1; Temp: 25 ° c | (1) ACD |
| logi | 10.15 | pH 2; Temp: 25 ° c | (1) ACD |
| logi | 10.27 | pH 3; Temp: 25 ° c | (1) ACD |
| logi | 10.29 | pH 4; Temp: 25 ° c | (1) ACD |
| logi | 10.29 | pH 5; Temp: 25 ° c | (1) ACD |
| logi | 10.28 | pH 6; Temp: 25 ° c | (1) ACD |
| logi | 10.19 | pH 7; Temp: 25 ° c | (1) ACD |
| logi | 9.75 | pH 8; Temp: 25 ° c | (1) ACD |
| logi | 8.97 | pH 9; Temp: 25 ° c | (1) ACD |
| logi | 8.43 | pH 10; Temp: 25 ° c | (1) ACD |
| Logp | 10.291 ± 0.708 | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa ndani | 1.1 x 10-6 g/l | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 4.8 x 10-6 g/l | pH 1; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.4 x 10-6 g/l | pH 2; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.1 x 10-6 g/l | pH 3; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.0 x 10-6 g/l | pH 4; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.0 x 10-6 g/l | pH 5; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.0 x 10-6 g/l | pH 6; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.3 x 10-6 g/l | pH 7; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 3.5 x 10-6 g/l | pH 8; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 2.2 x 10-5 g/l | pH 9; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 7.6 x 10-5 g/l | pH 10; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.3 x 10-6 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa ndani wa molar | 1.4 x 10-9 mol/l | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 6.1 x 10-9 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.8 x 10-9 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.4 x 10-9 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.3 x 10-9 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.3 x 10-9 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| Umumunyifu wa molar | 1.3 x 10-9 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.6 x 10-9 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 4.5 x 10-9 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 2.8 x 10-8 mol/l | pH 9; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 9.6 x 10-8 mol/l | pH 10; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.6 x 10-9 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
| Uzito wa Masi | 787.98 | ||
| PKA | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. | (1) ACD |
| PKA | 1.39 ± 0.10 | Muda wa msingi zaidi: 25 ° C. | (1) ACD |
.
Wiani
| Mali | Thamani | Hali | Chanzo |
| Wiani | 1.23 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
| Kiasi cha molar | 639.5 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
| Mali | Thamani | Hali | Chanzo |
| Vifungo vya mzunguko wa bure | 14 | (1) ACD | |
| Wapokeaji | 12 | (1) ACD | |
| H wafadhili | 2 | (1) ACD | |
| H wafadhili/jumla ya jumla | 14 | (1) ACD | |
| Logp | 10.291 ± 0.708 | Temp: 25 ° c | (1) ACD |
| Uzito wa Masi | 787.98 |
.
Muundo unaohusiana
| Mali | Thamani | Hali | Chanzo |
| Eneo la uso wa polar | 139 A2 | (1) ACD | |
.
Spectra inapatikana
1H NMR
13C NMR
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