Structure Database (LMSD)
Common Name
19-Hydroxy-10S,19-dihydrovitamin D3
Systematic Name
(5Z,7E)-(3S,10S)-9,10-seco-5,7-cholestadiene-3,19-diol
Synonyms
3D model of 19-Hydroxy-10S,19-dihydrovitamin 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
String Representations
InChiKey (Click to copy)
AJXHPHZACZICEG-MQKNCZAVSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-19(2)7-5-8-20(3)25-14-15-26-21(9-6-16-27(25,26)4)10-11-22-17-24(29)13-12-23(22)18-28/h10-11,19-20,23-26,28-29H,5-9,12-18H2,1-4H3/b21-10+,22-11-/t20-,23-,24+,25-,26+,27-/m1/s1
SMILES (Click to copy)
C1/C(=C/C=C2\CCC[C@]3(C)[C@@]([H])([C@]([H])(C)CCCC(C)C)CC[C@@]\23[H])/[C@@H](CO)CC[C@@H]1O
Other Databases
PubChem CID
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
3
Aromatic Rings
0
Rotatable Bonds
7
Van der Waals Molecular Volume
450.88
Topological Polar Surface Area
40.46
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
2
logP
7.24
Molar Refractivity
123.63
Admin
Created at
-
Updated at
-