11-Methoxy-17-iodovinylestradiol
Basic information
- CAS
90857-55-9- Standard SMILES
CO[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/[125I])[C@@H]2CCc3cc(O)ccc3[C@H]21- InChIKey
NQZMRNUJSPQTFS-XAYQJVIWSA-N- Molecular formula
- C21H27IO3
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 452.10065
Names & identifiers
- Preferred name
- 11-Methoxy-17-iodovinylestradiol
- IUPAC
- (8S,9S,11S,13S,14S,17R)-17-[(E)-2-(125I)iodoethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
- English name
- 17 alpha-iodovinyl-11 beta-methoxyestradiol
- Molecular weight
- 0
Names & synonyms
11-Methoxy-17-iodovinylestradiol90857-55-9IVME211-Mive11beta-Methoxy-17alpha-iodovinylestradiol17alpha-Iodovinyl-11beta-methoxyestradiolCHEMBL162811811-methoxy-17-iodovinyl estradiol(8S,9S,11S,13S,14S,17R)-17-[(E)-2-(125I)iodanylethenyl]-11-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diolIodine(123)-cis-11beta-methoxy-17alpha-iodovinyl estradiol19-Norpregna-1,3,5(10),20-tetraene-3,17-diol, 21-(iodo-125I)-11-methoxy-, (11beta,17alpha,20E)-17 alpha-iodovinyl-11 beta-methoxyestradiol
Database identifiers
- CAS
90857-55-9- PubChem CID
- 6436073
- ChEMBL
CHEMBL1628118- Nikkaji
- J536.068D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 49.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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