17alpha-Iodovinylestradiol
Basic information
- CAS
82123-96-4- Standard SMILES
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2(O)/C=C/[125I]- InChIKey
OYXUAWWNNLITME-SLHNCBLASA-N- Molecular formula
- C20H25IO2
- Average molar mass
- 422.3 g/mol
- Monoisotopic mass
- 422.09009
Names & identifiers
- Preferred name
- 17alpha-Iodovinylestradiol
- IUPAC
- (8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 17 alpha-iodovinylestradiol
- Molecular weight
- 0
Names & synonyms
17alpha-Iodovinylestradiol82123-96-417-IV-Estradiol(8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol19-Norpregna-1,3,5(10),20-tetraene-3,17-diol, 21-(iodo-125I)-, (17alpha,20E)-17 alpha-iodovinylestradiol
Database identifiers
- CAS
82123-96-4- PubChem CID
- 6436069
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
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Compound notes
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