AC1O5IQG structure

AC1O5IQG

methyl (3E,5Z)-7-[(2R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hepta-3,5-dienoate

Also Known As: ONO 1108|16-(3-Chlorophenoxy)-17,18,19,20-tetranor-3,4-trans-didehydro-pgf2-alpha methyl ester|3,5-Heptadienoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5- dihydroxycyclopentyl)-, methyl ester, (1R-(1-alpha(3E,5Z),2-beta(1E,3R*),3-alpha,5-alpha))-|3,5-Heptadienoic acid, 7-(2-(4-(3-chlorophenoxy)-3-hydroxy-1-butenyl)-3,5-dihydroxycyclopentyl)-, methyl ester, (1R-(1alpha(3E,5Z),2beta(1E,3R*),3alpha,5alpha))-|3,5-Heptadienoic acid,7-[(1R,2R,3R,5S)-2-[(1E,3R)-4-(3-chlorophenoxy)-3-hydroxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-,methyl ester, (3E,5Z)-|methyl (3E,5Z)-7-[(2R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hepta-3,5-dienoate

CAS: 64812-64-2
Molecular Formula C23H29ClO6
Molecular Weight 436.16525 g/mol
LogP 3.0594
Topological Polar Surface Area 96.22 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 10
Exact Mass 436.16525
Monoisotopic Mass 436.16525
Heavy Atoms 30
Complexity 759.8151

Chemical Identifiers

CAS Number 64812-64-2
SMILES COC(=O)C/C=C/C=C\CC1[C@H](C(CC1O)O)/C=C/[C@H](COC2=CC(=CC=C2)Cl)O

Product Overview

AC1O5IQG (CAS 64812-64-2), with molecular formula C23H29ClO6 and molecular weight 436.16525 g/mol. IUPAC: methyl (3E,5Z)-7-[(2R)-2-[(E,3R)-4-(3-chlorophenoxy)-3-hydroxybut-1-enyl]-3,5-dihydroxycyclopentyl]hepta-3,5-dienoate.

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