Structure Database (LMSD)
Common Name
(24S)-24-hydroxyvitamin D3 / (24S)-24-hydroxycholecalciferol
Systematic Name
(5Z,7E)-(3S,24S)-9,10-seco-5,7,10(19)-cholestatriene-3,24-diol
Synonyms
3D model of (24S)-24-hydroxyvitamin D3 / (24S)-24-hydroxycholecalciferol
Please note: Where there are chiral atoms but the stereochemistry is undefined, the 3D model takes an arbitrary conformation
Classification
Category
Main Class
Sub Class
String Representations
InChiKey (Click to copy)
SNOXQOOPUCMFPS-DEORFHHGSA-N
InChi (Click to copy)
InChI=1S/C27H44O2/c1-18(2)26(29)15-9-20(4)24-13-14-25-21(7-6-16-27(24,25)5)10-11-22-17-23(28)12-8-19(22)3/h10-11,18,20,23-26,28-29H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t20-,23+,24-,25+,26+,27-/m1/s1
SMILES (Click to copy)
C1C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([H])([C@@]3(C)CCC\2)[C@]([H])(C)CC[C@H](O)C(C)C)/C[C@@H](O)C1
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
0
Rotatable Bonds
6
Van der Waals Molecular Volume
448.24
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.16
Molar Refractivity
123.60
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Created at
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Updated at
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