16-(3-Chlorophenoxy)-17,18,19,20-tetranor-3,4-cis-didehydro-pgf2-beta methyl ester
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Basic information
- CAS
64775-52-6- Standard SMILES
COC(=O)C/C=C\C=C/CC1C(O)CC(O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1- InChIKey
FDLAWQMKYQSKSJ-RMZYQXFCSA-N- Molecular formula
- C23H29ClO6
- Average molar mass
- 436.9 g/mol
- Monoisotopic mass
- 436.1652663
Names & identifiers
- Preferred name
- 16-(3-Chlorophenoxy)-17,18,19,20-tetranor-3,4-cis-didehydro-pgf2-beta methyl ester
- IUPAC
- methyl (3Z,5Z)-7-[(2R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hepta-3,5-dienoate
- English name
- (3Z,5Z)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-3,5-heptadienoic acid methyl ester
- Molecular formula
- C23H29ClO6
- Molecular weight
- 436.93
Names & synonyms
16-(3-Chlorophenoxy)-17,18,19,20-tetranor-3,4-cis-didehydro-pgf2-beta methyl ester64775-52-63,5-Heptadienoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, methyl ester, (1R-(1-alpha(3Z,5Z),2-beta(1E,3R*),3-alpha,5-alpha))-(3Z,5Z)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-3,5-heptadienoic acid methyl ester3,5-Heptadienoic acid, 7-[2-[4-(3-chlorophenoxy)-3-hydroxy-1-butenyl]-3,5-dihydroxycyclopentyl]-, methyl ester, [1R-[1α(3Z,5Z),2β(1E,3R*),3α,5α]]- (9CI)
Database identifiers
- CAS
64775-52-6- PubChem CID
- 6434880
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 605
Physicochemical properties
- Boiling point
- 594 · 594.0±50.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.20(Predicted)
Related reactions
0 records
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Compound notes
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