16-(3-Chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydro-pgf2-alpha
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Basic information
- CAS
73275-75-9- Standard SMILES
O=C(O)/C=C\C/C=C/CC1C(O)CC(O)[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1- InChIKey
UFUOLMNCLCRFJP-VKQYQBCJSA-N- Molecular formula
- C22H27ClO6
- Average molar mass
- 422.9 g/mol
- Monoisotopic mass
- 422.1496163
Names & identifiers
- Preferred name
- 16-(3-Chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydro-pgf2-alpha
- IUPAC
- (2Z,5E)-7-[(2R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hepta-2,5-dienoic acid
- English name
- (2E,5Z)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid
- Molecular formula
- C22H27ClO6
- Molecular weight
- 422.9
Names & synonyms
BRN 564061616-(3-Chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydro-pgf2-alpha73275-75-916-(3-Chlorophenoxy)-17,18,19,20-tetranor-2,3-trans-didehydroprostaglandin F2-alpha2,5-Heptadienoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, (1R-(1-alpha(2E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))-(2E,5Z)-7-[(1R)-2β-[(E,R)-4-(3-Chlorophenoxy)-3-hydroxy-1-butenyl]-3α,5α-dihydroxycyclopentan-1α-yl]-2,5-heptadienoic acid2,5-Heptadienoic acid, 7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (2E,5Z)-
Database identifiers
- CAS
73275-75-9- PubChem CID
- 6435211
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 590
Related reactions
0 records
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Compound notes
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