Basic information
- CAS
29485-93-6- Standard SMILES
CC12CCC(OC=O)CC1=CCC1C2CCC2(C)C(NC=O)CCC12- InChIKey
ZDXFFKMZPPKDEH-UHFFFAOYSA-N- Molecular formula
- C21H31NO3
- Average molar mass
- 345.5 g/mol
- Monoisotopic mass
- 345.23039385
Names & identifiers
- Preferred name
- [3-(Formyloxy)androst-5-en-17-yl]methanimidic acid
- IUPAC
- (17-formamido-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl) formate
Names & synonyms
29485-93-6NSC119062[3-(Formyloxy)androst-5-en-17-yl]methanimidic acidDTXSID50952000NSC-119062
Database identifiers
- CAS
29485-93-6- PubChem CID
- 273677
- DTXSID
DTXSID50952000
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 588
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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