17beta-Hydroxy-5alpha-estran-3-one
Basic information
- CAS
1434-85-1- Standard SMILES
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O- InChIKey
RHVBIEJVJWNXBU-PNOKGRBDSA-N- Molecular formula
- C18H28O2
- Average molar mass
- 276.4 g/mol
- Monoisotopic mass
- 276.20893013
Overview
RN given refers to (5 alpha,17 beta)-isomer
Names & identifiers
- Preferred name
- 17beta-Hydroxy-5alpha-estran-3-one
- IUPAC
- (5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 5-dihydro-19-nortestosterone
- Molecular formula
- C18H28O2
- Molecular weight
- 276.41
Names & synonyms
5alpha-Dihydronandrolone5-Dihydro-19-nortestosterone5-Dihydronandrolone1434-85-117beta-hydroxy-5alpha-estran-3-oneI0V6O3097QDTXSID60931866RefChem:908260DTXCID2013605685.alpha.-Estran-3-one, 17.beta.-hydroxy-19-Nor-5.alpha.-dihydrotestosteroneEstran-3-one, 17-hydroxy-, (5.alpha.,17.beta.)-
Show more names
DHNTDihydro-19-NT5α-Dihydronandrolone5α-Estran-17β-ol-3-one17β-Hydroxy-5α-estran-3-one4,5α-Dihydro-19-nortestosteroneEstran-3-one, 17-hydroxy-, (5α,17β)-
UNII-I0V6O3097QdihydronandroloneEstran-3-one, 17-hydroxy-, (5alpha,17beta)-(5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-oneSCHEMBL6244377CHEMBL31379995.ALPHA.-DIHYDRONANDROLONE5.alpha.-Estran-3-on-17.beta.-ol
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 418
Experimental & physicochemical properties
LogP3.85
Physicochemical properties
- Melting point
- 130 · 130-132 °C
- Boiling point
- 412.9 · 412.9±45.0 °C(Predicted)
- Density
- 1.093 · 1.093±0.06 g/cm3(Predicted)
- pka
- 15.08 · 15.08±0.40(Predicted)
- FDA UNII
- 0 V6O3097Q · I0V6O3097Q
Related reactions
6 records
Compound notes
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