Structure Database (LMSD)
Common Name
5alpha-Dihydrotestosterone sulfate
Systematic Name
5α-dihydrotestosterone 17-sulfate
Synonyms
- DHT-sulfate
LM ID
LMST05020023
Formula
Exact Mass
Calculate m/z
370.181397
Sum Composition
Status
Active
3D model of 5alpha-Dihydrotestosterone sulfate
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)
KYVPWJSGFKNNLD-ABEVXSGRSA-N
InChi (Click to copy)
InChI=1S/C19H30O5S/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(24-25(21,22)23)19(15,2)10-8-16(14)18/h12,14-17H,3-11H2,1-2H3,(H,21,22,23)/t12-,14-,15-,16-,17-,18-,19-/m0/s1
SMILES (Click to copy)
[C@]12(CC[C@@]3([H])CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OS(O)(=O)=O)CC[C@@]21[H])[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
347.64
Topological Polar Surface Area
80.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
5.32
Molar Refractivity
93.57
Admin
Created at
-
Updated at
18th Sep 2024