Structure Database (LMSD)
Common Name
5beta-Dihydrotestosterone
Systematic Name
17β-hydroxy-5β-androstan-3-one
Synonyms
LM ID
LMST02020069
Formula
Exact Mass
Calculate m/z
290.224581
Sum Composition
Status
Curated
3D model of 5beta-Dihydrotestosterone
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)
NVKAWKQGWWIWPM-MISPCMORSA-N
InChi (Click to copy)
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14+,15+,16+,17+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@]3([H])CC(CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@H](CC[C@@]21[H])O)=O
Other Databases
KEGG ID
HMDB ID
CHEBI ID
PubChem CID
SwissLipids ID
PDB ID
Calculated Physicochemical Properties
Heavy Atoms
21
Rings
4
Aromatic Rings
0
Rotatable Bonds
0
Van der Waals Molecular Volume
302.76
Topological Polar Surface Area
37.30
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
2
logP
4.25
Molar Refractivity
83.25
Admin
Created at
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Updated at
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