5-O-(4,4-二甲氧基三苯甲游基)-2,3-脱水胸腺嘧啶脱氧核苷 | 191474-13-2
5-O-(4,4-二甲氧基三苯甲游基)-2,3-脱水胸腺嘧啶脱氧核苷
5’-O-(4,4’-Dimethoxytrityl)-2,3’-anhydrothymidine
191474-13-2
C31H30N2O6
526.5797
名称和标识符
InChIKey |
SWDIHODJLJEUEJ-IARZGTGTSA-N |
Inchi |
InChI=1S/C31H30N2O6/c1-20-18-33-28-17-26(39-30(33)32-29(20)34)27(38-28)19-37-31(21-7-5-4-6-8-21,22-9-13-24(35-2)14-10-22)23-11-15-25(36-3)16-12-23/h4-16,18,26-28H,17,19H2,1-3H3/t26-,27+,28-/m0/s1 |
SMILES |
COC1C=CC(C(C2C=CC(OC)=CC=2)(OC[C@H]2O[C@@H]3N4C=C(C)C(=O)N=C4O[C@H]2C3)C2C=CC=CC=2)=CC=1 |
别名信息
- 中文别名 -
- 5-O-(4,4-二甲氧基三苯甲游基)-2,3-脱水胸腺嘧啶脱氧核苷
- 英文别名 -
- 2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,3-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3-dihydro-8-methyl-,(2R,3R,5R)-
- 5'-O-(4,4'-DIMETHOXYTRITYL)-2,3'-ANHYDROTHYMIDINE
- 2,3'-anhydro-5'-O-(4,4'-dimethoxytrityl)thymidine
- 2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,3-[[bis(4-methoxyphenyl)phenylmethoxy...
- 2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one,3-[[bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3-dihydro-8-methyl-,
- 5’-O-(4,4’-Dimethoxytrityl)-2,3’-anhydrothymidine
- 2,3'-anhydro-5'-(4,4'-dimethoxytrityl)thymidine
- (2R,3R,5R)-
- Anhydrothymidine-FLT-precursor
- 5'-O-DMT-2,3'-anhydrothymidine
- 2,5-METHANO-5H,9H-PYRIMIDO[2,1-B][1,5,3]DIOXAZEPIN-9-ONE, 3-[4,4'-DIMETHOXTRITYL]-2,3-DIHYDRO-8-METHYL-, (2R,3R,5R)-
- 2,5-Methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one, 3-[4,4''-dimethoxtrityl]-2,3-dihydro-8-methyl-, (2R,3R,5R)-
- (2R,3R,5R)-3-[[Bis(4-methoxyphenyl)phenylmethoxy]methyl]-2,3-dihydro-8-methyl-2,5-methano-5H,9H-pyrimido[2,1-b][1,5,3]dioxazepin-9-one
- 191474-13-2
- (2S,3R,5R)-3-{[Bis(4-methoxyphenyl)(phenyl)methoxy]methyl}-8-methyl-2,3-dihydro-5H,9H-2,5-methanopyrimido[2,1-b][1,5,3]dioxazepin-9-one
- 5 inverted exclamation mark -O-(4,4 inverted exclamation mark -Dimethoxytrityl)-2,3 inverted exclamation mark -anhydrothymidine
- 5'-O-(4,4'-Dimethoxytrityl)-2,3'-anhydrothymidine
- DTXSID50573118
- 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2,3'-anhydrothymidine
- W-201706
- (1R,9S,10R)-10-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-methyl-8,11-dioxa-2,6-diazatricyclo[7.2.1.02,7]dodeca-3,6-dien-5-one
物化性质
实验特性
LogP |
4.62610 |
PSA |
81.04000 |
折射率 |
1.629 |
沸点 |
654.2±65.0 °C at 760 mmHg |
熔点 |
Not available |
蒸气压 |
0.0±2.0 mmHg at 25°C |
闪点 |
349.5±34.3 °C |
稳定性 |
Store in Freezer |
密度 |
1.3±0.1 g/cm3 |
计算特性
精确分子量 |
526.21000 |
氢键供体数量 |
0 |
氢键受体数量 |
6 |
可旋转化学键数量 |
8 |
同位素质量 |
526.21038668g/mol |
重原子数量 |
39 |
复杂度 |
905 |
同位素原子数量 |
0 |
确定原子立构中心数量 |
3 |
不确定原子立构中心数量 |
0 |
确定化学键立构中心数量 |
0 |
不确定化学键立构中心数量 |
0 |
共价键单元数量 |
1 |
疏水参数计算参考值(XlogP) |
4.8 |
拓扑分子极性表面积 |
78.8Ų |
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