(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol 基本信息
CAS号 111687-67-3 分子式 C26H42O3
分子量 402.61000 精确质量  402.31300
PSA  49.69000 LogP  5.57860

基本信息 展开↓

CAS号:
111687-67-3
3D弹球模型:
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分子式:
C26H42O3
分子量:
402.61000
中文名称:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
英文名称:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
中文别名:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
英文别名:
(1R,3S,5E)-5-[(2E)-2-[(3aS,7aS)-7a-methyl-1-[(1S)-1-(3-methylbutoxy)ethyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;
1,3-Cyclohexanediol,4-methylene-5-(2-(octahydro-7a-methyl-1-(1-(3-methylbutoxy)ethyl)-4H-inden-4-ylidene)ethylidene)-,(1S-(1alpha(R*),3abeta,4E(1S*,3R*,5Z),7aalpha));
1-Hydroxy-22-oxavitamin D3
精确分子量/精确质量:
402.31300
极性分子表面积/PSA:
49.69000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: OSURJGQBRKBWMU-RDZALOCYSA-N

物化性质展开↓

密度:
1.04g/cm3
沸点:
530.1ºC at 760mmHg
闪点:
274.4ºC
折射率:
1.535
蒸汽压:
1.88E-13mmHg at 25°C

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