Structure Database (LMSD)
Common Name
Epitestosterone sulfate
Systematic Name
17α-hydroxyandrost-4-en-3-one 17-sulfate
Synonyms
LM ID
LMST05020043
Formula
Exact Mass
Calculate m/z
368.165747
Sum Composition
Status
Active
3D model of Epitestosterone 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
String Representations
InChiKey (Click to copy)
WAQBISPOEAOCOG-KZYORJDKSA-N
InChi (Click to copy)
InChI=1S/C19H28O5S/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/h11,14-17H,3-10H2,1-2H3,(H,21,22,23)/t14-,15-,16-,17+,18-,19-/m0/s1
SMILES (Click to copy)
C[C@@]12[C@H](OS(O)(=O)=O)CC[C@@]1([H])[C@@]1(CCC3[C@](C)(CCC(=O)C=3)[C@@]1([H])CC2)[H]
Other Databases
Calculated Physicochemical Properties
Heavy Atoms
25
Rings
4
Aromatic Rings
0
Rotatable Bonds
2
Van der Waals Molecular Volume
345.00
Topological Polar Surface Area
80.67
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
5
logP
5.24
Molar Refractivity
93.55
Admin
Created at
-
Updated at
17th Sep 2024