Basic information
- CAS
566-52-9- Standard SMILES
C[C@]12C[C@@H](CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
OKOKLFXLKDXQOK-VDBAHQDGSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Overview
17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one is a 3-oxo-5alpha-steroid.
Names & identifiers
- Preferred name
- 17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one
- IUPAC
- (2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Names & synonyms
566-52-917beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-oneNSC54341(2S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethyl)-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-oneNIOSH/BV8058700NSC-54341BV805870002-alpha-Hydroxymethyl-17-beta-hydroxyandrostan-3-one17-beta-Hydroxy-2-alpha-(hydroxymethyl)androstan-3-oneAndrostan-3-one, 17-beta-hydroxy-2-alpha-(hydroxymethyl)-NSC 543412-alpha-Hydroxymethyl-17-beta-hydroxy-5-alpha-androstan-3-one
Show more names
5-alpha-ANDROSTAN-3-ONE, 2-alpha-(HYDROXYMETHYL)-17-beta-HYDROXY-QU7U82B6FRCHEBI:79557DTXSID2097203817-Hydroxy-2-(hydroxymethyl)androstan-3-oneQ271486705alpha-Androstan-3-one, 17beta-hydroxy-2alpha-(hydroxymethyl)-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one, 17beta-
Database identifiers
- CAS
566-52-9- PubChem CID
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 503
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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