Structure Database (LMSD)

Systematic Name
5α-androstane
Synonyms
LM ID
LMST02020056
Status
Active
Exact Mass
Calculate m/z
260.2504
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)
QZLYKIGBANMMBK-UGCZWRCOSA-N
InChi (Click to copy)
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1
SMILES (Click to copy)
[C@@]12([H])CC[C@@]3([H])CCCC[C@]3(C)[C@@]1([H])CC[C@]1(C)CCC[C@@]21[H]

References

Other Databases

KEGG ID
CHEBI ID
PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 19
Rings 4
Aromatic Rings 0
Rotatable Bonds 0
Van der Waals Molecular Volume 287.82
Topological Polar Surface Area 0.00
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 0
logP 5.81
Molar Refractivity 80.96

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Created at
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Updated at
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