Basic information
- CAS
566-53-0- Standard SMILES
C[C@]12CC(CO)=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
BWYWJEOODYEXFU-WDCLZLQXSA-N- Molecular formula
- C20H32O2
- Average molar mass
- 304.5 g/mol
- Monoisotopic mass
- 304.24023026
Names & identifiers
- Preferred name
- 2-Hydroxymethyl-5-alpha-androst-2-en-17-beta-ol
- IUPAC
- (5S,8R,9S,10S,13S,14S,17S)-2-(hydroxymethyl)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol
Names & synonyms
566-53-017-beta-Hydroxy-5-alpha-androst-2-ene-2-methanolNSC 63015BRN 19875152-Hydroxymethyl-5-alpha-androst-2-en-17-beta-olNSC630155-alpha-ANDROST-2-ENE-2-METHANOL, 17-beta-HYDROXY-DTXSID80972039NSC-630152-(hydroxymethyl)androst-2-en-17-ol2-(Hydroxymethyl)-5alpha-androst-2-en-17beta-ol
Database identifiers
- CAS
566-53-0- PubChem CID
- 11275
- DTXSID
DTXSID80972039- Nikkaji
- J58.246H
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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