Structure Database (LMSD)
Common Name
2-Nor-1,3-seco-1alpha,25-dihydroxyvitamin D3
Systematic Name
(5ZE,7E)-2-nor-1,3-seco-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Synonyms
3D model of 2-Nor-1,3-seco-1alpha,25-dihydroxyvitamin 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)
PDCWVQZLMVLGLG-YQRSRUBMSA-N
InChi (Click to copy)
InChI=1S/C26H44O3/c1-19(8-6-15-25(3,4)29)23-12-13-24-22(9-7-16-26(23,24)5)11-10-21(14-17-27)20(2)18-28/h10-11,19,23-24,27-29H,2,6-9,12-18H2,1,3-5H3/b21-10+,22-11+/t19-,23-,24+,26-/m1/s1
SMILES (Click to copy)
C(=C)(/C(=C/C=C1\CCC[C@]2(C)[C@@]([H])([C@@]([H])(CCCC(O)(C)C)C)CC[C@@]\12[H])/CCO)CO
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
29
Rings
2
Aromatic Rings
0
Rotatable Bonds
10
Van der Waals Molecular Volume
452.09
Topological Polar Surface Area
60.69
Hydrogen Bond Donors
3
Hydrogen Bond Acceptors
3
logP
6.42
Molar Refractivity
123.07
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Created at
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Updated at
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