Basic information
- CAS
14413-03-7- Standard SMILES
CCOP(=O)(O)C1CC2C3CC=C4CC(O)CCC4(C)C3CCC2(C)C1C(C)=O- InChIKey
YTHYJGZYFUJIFJ-UHFFFAOYSA-N- Molecular formula
- C23H37O5P
- Average molar mass
- 424.5 g/mol
- Monoisotopic mass
- 424.23786127
Names & identifiers
- Preferred name
- Ethyl hydrogen (3-hydroxy-20-oxopregn-5-en-16-yl)phosphonate
- IUPAC
- (17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-16-yl)-ethoxyphosphinic acid
Names & synonyms
NSC-82771DTXSID00932236NSC82771Ethyl hydrogen (3-hydroxy-20-oxopregn-5-en-16-yl)phosphonate
Database identifiers
- CAS
14413-03-7- PubChem CID
- 256232
- DTXSID
DTXSID00932236
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 762
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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