17-Iodovinylestradiol-3-methyl ether
Basic information
- CAS
85549-75-3- Standard SMILES
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC2(O)/C=C/[125I]- InChIKey
CNXYYKZZDGUKQL-WOFXFJSVSA-N- Molecular formula
- C21H27IO2
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 436.10574
Overview
structure given in first source
Names & identifiers
- Preferred name
- 17-Iodovinylestradiol-3-methyl ether
- IUPAC
- (8R,9S,13S,14S)-17-[(E)-2-(125I)iodoethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
- English name
- 17-iodovinylestradiol-3-methyl ether
- Molecular weight
- 0
Names & synonyms
IVEME17-Iodovinylestradiol-3-methyl ether85549-75-319-Norpregna-1,3,5(10),20-tetraen-17-ol, 21-(iodo-125I)-3-methoxy-, (17alpha,20E)-RefChem:7922717alpha-(125I)Iodovinylestradiol-3-methyl ether(8R,9S,13S,14S)-17-[(E)-2-(125I)iodanylethenyl]-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-ol
Database identifiers
- CAS
85549-75-3- PubChem CID
- 6436071
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 506
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Related reactions
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Compound notes
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