4-[5-(4-氯苯基)硫烷基五氧代]-3-甲氧基-苯胺
- 中文名称:
- 4-[5-(4-氯苯基)硫烷基五氧代]-3-甲氧基-苯胺
- 中文别名:
- 4-[5-(4-氯苯基)硫烷基五氧代]-3-甲氧基-苯胺;
(3S,6S,9S,12R,15S,18S,21S,24S,27R,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,27,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14
- 英文名称:
- Cyclosporin A,8-(N-methyl-D-alanine)- (9CI)
- 英文别名:
- (3S,6S,9S,12R,15S,18S,21S,24S,27R,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,27,28-decamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14
- CAS No.:
- 108466-41-7
- 分 子 式:
-
C63H113N11O12
- 分 子 量:
- 0
- 精确分子量:
- 1215.86000
- PSA:
- 292.76000
- InChI:
- The Key: QEHCSSQYOJCSKZ-PUJAEEMASA-N3
- 分子结构式:
-

- SDS:
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4-[5-(4-氯苯基)硫烷基五氧代]-3-甲氧基-苯胺 物化性质
- 密度:
- 1.01g/cm3
- 沸点:
- 1294.2ºC at 760mmHg
- 闪点:
- 736.5ºC
- 折射率:
- 1.466
- 蒸汽压:
- 0mmHg at 25°C
4-[5-(4-氯苯基)硫烷基五氧代]-3-甲氧基-苯胺 分子结构与计算化学数据
计算化学数据
1.疏水参数计算参考值(XlogP):7.9
2.氢键供体数量:5
3.氢键受体数量:12
4.可旋转化学键数量:15
5.互变异构体数量:1001
6.拓扑分子极性表面积:279
7.重原子数量:86
8.表面电荷:0
9.复杂度:2360
10.同位素原子数量:0
11.确定原子立构中心数量:12
12.不确定原子立构中心数量:1
13.确定化学键立构中心数量:1
14.不确定化学键立构中心数量:0
15.共价键单元数量:1