60280-55-9 ((3BETA)-胆甾-5-烯-3-醇-7,7-T2,cholesterol, [7-3h(n)])

快速询单

结构式：

(3BETA)-胆甾-5-烯-3-醇-7,7-T2MOL文件

CAS号：

60280-55-9

中文名称：

(3BETA)-胆甾-5-烯-3-醇-7,7-T2

英文名称：

cholesterol, [7-3h(n)]

分子式：

C₂₇H₄₆O

分子量：

390.669767379761

(3BETA)-胆甾-5-烯-3-醇-7,7-T2(60280-55-9)名称与标识符

名称

中文别名：

(3BETA)-胆甾-5-烯-3-醇-7,7-T2;

英文别名：

cholesterol, [7-3h(n)];[7(N)-3H]CHOLESTEROL;(3beta)-Cholest-5-en-7,7-t2-3-ol;

标识符

InChIKey：

HVYWMOMLDIMFJA-RNAHQABDSA-N

Inchi：

1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i10T2

SMILES：

O[C@H]1CC[C@@]2(C)C(C1)=CC([3H])([3H])[C@@H]1[C@@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]21

(3BETA)-胆甾-5-烯-3-醇-7,7-T2(60280-55-9)物化性质

计算特性

精确分子量 : 390.371314585g/mol
氢键供体数量 : 1
氢键受体数量 : 1
可旋转化学键数量 : 5
同位素质量 : 390.371314585g/mol
重原子数量 : 28
复杂度 : 591
同位素原子数量 : 2
确定原子立构中心数量 : 8
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） : 8.7
拓扑分子极性表面积 : 20.2Å²

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60280-55-9 ((3BETA)-胆甾-5-烯-3-醇-7,7-T2,cholesterol, [7-3h(n)])

(3BETA)-胆甾-5-烯-3-醇-7,7-T2(60280-55-9)名称与标识符

名称

标识符

(3BETA)-胆甾-5-烯-3-醇-7,7-T2(60280-55-9)物化性质

计算特性

(3BETA)-胆甾-5-烯-3-醇-7,7-T2(60280-55-9)相关文献

目录