Structure Database (LMSD)
Common Name
(24R)-24-hydroxyvitamin D3
Systematic Name
(5Z,7E)-(3S,24R)-9,10-seco-5,7,10(19)-cholestatriene-3,24-diol
Synonyms
- 24R)-24-hydroxycholecalciferol
3D model of (24R)-24-hydroxyvitamin D3
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
References
String Representations
InChiKey (Click to copy)
SNOXQOOPUCMFPS-IBLPRGGXSA-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
Admin
Created at
-
Updated at
11th Oct 2024