920022-44-2 ((1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-)

快速询单

结构式：

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-MOL文件

CAS号：

920022-44-2

英文名称：

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-

分子式：

C₁₈H₂₂O₄

分子量：

302.364885807037

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-(920022-44-2)名称与标识符

名称

英文别名：

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-;(+)-ENTERODIOL;rac Enterodiol;

标识符

InChIKey：

DWONJCNDULPHLV-HZPDHXFCSA-N

Inchi：

1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m1/s1

SMILES：

OC[C@@H](CC1C=CC=C(C=1)O)[C@@H](CO)CC1C=CC=C(C=1)O

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-(920022-44-2)物化性质

计算特性

氢键供体数量 : 4
氢键受体数量 : 4
可旋转化学键数量 : 7
重原子数量 : 22
复杂度 : 280
拓扑分子极性表面积 : 80.9

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920022-44-2 ((1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-)

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-(920022-44-2)名称与标识符

名称

标识符

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-(920022-44-2)物化性质

计算特性

1,4-Butanediol, 2,3-bis[(3-hydroxyphenyl)methyl]-, (2S,3S)-(920022-44-2)相关文献

目录