![C39H37N5O7 adenosine, N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-methyl- (9ci, ACI)](http://cdn.globalso.com/nvchem/style/global/img/demo/page_banner.jpg)
![C39H37N5O7 adenosine, N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-methyl- (9ci, ACI) picha iliyoonyeshwa](https://cdn.globalso.com/nvchem/Substance-Detail.jpg)
C39H37N5O7 adenosine, N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'- O-methyl- (9ci, ACI)
| Sifa muhimu za mwili | Thamani | Hali |
| Uzito wa Masi | 687.74 | - |
| Uzani (uliotabiriwa) | 1.32 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr |
| PKA (alitabiri) | 7.87 ± 0.43 | Templeti nyingi za asidi: 25 ° C. |
Canonical Smiles 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 = CC7
Tabasamu za Isomeric
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 (CC)
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) (49- 34 (49- 34 (49- 34 (49- 34 (49- 34 (49- 34 (49) (49- 34 (49) (49- 34 (49- 34 (49- 34 (49) (49- 34 (49) (49- 34 (49) 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
Ufunguo wa Inchi
Sarhdaqoznkzcc-cjegosrcsa-n
1 Jina lingine kwa dutu hii
N-benzoyl-5'-o- [bis (4-methoxyphenyl) phenylmethyl] -2'-o-methyladenosine (ACI)
Spectra inapatikana
1H NMR
13C NMR
Misa
Mali inapatikana
Kibaolojia
Kemikali
Wiani
Lipinski
Muundo unaohusiana
Kibaolojia
| Mali | Thamani | Hali | Chanzo |
| Sababu ya bioconcentration | 47800 | pH 1; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.63 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 2.16 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 2.23 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 2.23 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 2.18 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 1.79 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 64900 | pH 8; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 10600 | pH 9; Temp: 25 ° c | (1) ACD |
| Sababu ya bioconcentration | 3110 | pH 10; Temp: 25 ° c | (1) ACD |
.
Kemikali
| Mali | Thamani | Hali | Chanzo |
| KOC | 50200 | pH 1; Temp: 25 ° c | (1) ACD |
| KOC | 1.71 x 105 | pH 2; Temp: 25 ° c | (1) ACD |
| KOC | 2.26 x 105 | pH 3; Temp: 25 ° c | (1) ACD |
| KOC | 2.34 x 105 | pH 4; Temp: 25 ° c | (1) ACD |
| KOC | 2.34 x 105 | pH 5; Temp: 25 ° c | (1) ACD |
| KOC | 2.29 x 105 | pH 6; Temp: 25 ° c | (1) ACD |
| KOC | 1.88 x 105 | pH 7; Temp: 25 ° c | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| KOC | 68000 | pH 8; Temp: 25 ° c | (1) ACD |
| KOC | 11200 | pH 9; Temp: 25 ° c | (1) ACD |
| KOC | 3260 | pH 10; Temp: 25 ° c | (1) ACD |
| logi | 6.67 | pH 1; Temp: 25 ° c | (1) ACD |
| logi | 7.21 | pH 2; Temp: 25 ° c | (1) ACD |
| logi | 7.33 | pH 3; Temp: 25 ° c | (1) ACD |
| logi | 7.34 | pH 4; Temp: 25 ° c | (1) ACD |
| logi | 7.34 | pH 5; Temp: 25 ° c | (1) ACD |
| logi | 7.33 | pH 6; Temp: 25 ° c | (1) ACD |
| logi | 7.25 | pH 7; Temp: 25 ° c | (1) ACD |
| logi | 6.80 | pH 8; Temp: 25 ° c | (1) ACD |
| logi | 6.02 | pH 9; Temp: 25 ° c | (1) ACD |
| logi | 5.49 | pH 10; Temp: 25 ° c | (1) ACD |
| Logp | 7.344 ± 0.723 | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa ndani | 2.7 x 10-6 g/l | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 1.2 x 10-5 g/l | pH 1; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 3.7 x 10-6 g/l | pH 2; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 2.8 x 10-6 g/l | pH 3; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 2.8 x 10-6 g/l | pH 4; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 2.8 x 10-6 g/l | pH 5; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 2.8 x 10-6 g/l | pH 6; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 3.4 x 10-6 g/l | pH 7; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 9.6 x 10-6 g/l | pH 8; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa wingi | 5.7 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 | 3.4 x 10-6 g/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa ndani wa molar | 3.9 x 10-9 mol/l | Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.8 x 10-8 mol/l | pH 1; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 5.4 x 10-9 mol/l | pH 2; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 4.1 x 10-9 mol/l | pH 3; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 4.0 x 10-9 mol/l | pH 4; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 4.0 x 10-9 mol/l | pH 5; Temp: 25 ° c | (1) ACD |
| Mali | Thamani | Hali | Chanzo |
| Umumunyifu wa molar | 4.0 x 10-9 mol/l | pH 6; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 4.9 x 10-9 mol/l | pH 7; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 1.4 x 10-8 mol/l | pH 8; Temp: 25 ° c | (1) ACD |
| Umumunyifu wa molar | 8.3 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 | 4.9 x 10-9 mol/l | Maji yasiyokuwa na maji pH 7.00; Temp: 25 ° c | (1) ACD |
| Uzito wa Masi | 687.74 | ||
| 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 | 1.32 ± 0.1 g/cm3 | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
| Kiasi cha molar | 518.5 ± 7.0 cm3/mol | Temp: 20 ° C; Bonyeza: 760 Torr | (1) ACD |
.
Lipinski
| Mali | Thamani | Hali | Chanzo |
| Vifungo vya mzunguko wa bure | 12 | (1) ACD | |
| Wapokeaji | 12 | (1) ACD | |
| H wafadhili | 2 | (1) ACD | |
| H wafadhili/jumla ya jumla | 14 | (1) ACD | |
| Logp | 7.344 ± 0.723 | Temp: 25 ° c | (1) ACD |
| Uzito wa Masi | 687.74 |
.
Muundo unaohusiana
| Mali | Thamani | Hali | Chanzo |
| Eneo la uso wa polar | 139 A2 | (1) ACD | |
.
Spectra inapatikana
1H NMR
Spectra inapatikana
13C NMR
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