Basic information
- CAS
33499-71-7- Standard SMILES
C[C@]12CCC3c4ccc(O)[c]([Hg])c4CCC3C1CC[C@@H]2O- InChIKey
JBEIUOYSOWHLNZ-CMZLOHJFSA-N- Molecular formula
- C18H23HgO2
- Average molar mass
- 472 g/mol
- Monoisotopic mass
- 473.140449
Names & identifiers
- Preferred name
- [(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury
- IUPAC
- [(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury
- English name
- 4-mercuriestradiol
- Molecular weight
- 0
Names & synonyms
4-Mercuri-17beta-estradiol[(13S,17S)-3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-4-yl]mercury((17beta)-3,17-Dihydroxyestra-1,3,5(10)-trien-4-yl)hydromercury4-mercuriestradiol
Database identifiers
- CAS
33499-71-7- PubChem CID
- 67079
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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