Structure Database (LMSD)

Common Name
5alpha-androstane-3alpha-ol-17-one sulfate
Systematic Name
3α-hydroxy-5α-androstan-17-one 3-sulfate
Synonyms
LM ID
LMST05020001
Status
Active
Exact Mass
Calculate m/z
370.181397
Formula
Abbrev


Download as...
MDLMOL SDF CSV TSV
MDLMOL files can be opened in various drawing programs. In ChemDraw, open as filetype "MDL Molfile".

Main

Classification

String Representations

InChiKey (Click to copy)
ZMITXKRGXGRMKS-HLUDHZFRSA-N
InChi (Click to copy)
InChI=1S/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)/t12-,13+,14-,15-,16-,18-,19-/m0/s1
SMILES (Click to copy)
C1[C@@H](OS(O)(=O)=O)C[C@]2([H])CC[C@@]3([H])[C@]4([H])CCC(=O)[C@@]4(C)CC[C@]3([H])[C@@]2(C)C1

References

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

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Created at
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Updated at
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