4,5-Heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, (1R-(1alpha(R*),2beta(1E,3R*),3alpha))-

Base Information

• Chemical Name: 4,5-Heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, (1R-(1alpha(R*),2beta(1E,3R*),3alpha))-
• CAS No.: 135558-45-1
• Molecular Formula: C22H26O6
• Molecular Weight: 386.4382
• Nikkaji Number: J402.841D,J402.843K
• Mol file: 135558-45-1.mol

Synonyms:135558-45-1;4,5-Heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, (1R-(1alpha(R*),2beta(1E,3R*),3alpha))-;SCHEMBL10780690;(R)-7-[3alpha-Hydroxy-2beta-[(R)-3-hydroxy-4-phenoxy-1-butenyl]-5-oxocyclopentan-1alpha-yl]-4,5-heptadienoic acid;(S)-7-[3alpha-Hydroxy-2beta-[(R)-3-hydroxy-4-phenoxy-1-butenyl]-5-oxocyclopentan-1alpha-yl]-4,5-heptadienoic acid

Chemical Property of 4,5-Heptadienoic acid, 7-(3-hydroxy-2-(3-hydroxy-4-phenoxy-1-butenyl)-5-oxocyclopentyl)-, (1R-(1alpha(R*),2beta(1E,3R*),3alpha))-

Chemical Property:

• Vapor Pressure: 5.56E-16mmHg at 25°C
• Boiling Point: 615°C at 760 mmHg
• Flash Point: 213.3°C
• Density: 1.255g/cm³
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 10
• Exact Mass: 386.17293854
• Heavy Atom Count: 28
• Complexity: 598

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C1=O)CC=C=CCCC(=O)O)C=CC(COC2=CC=CC=C2)O)O
• Isomeric SMILES: C1[C@H]([C@@H]([C@H](C1=O)CC=C=CCCC(=O)O)/C=C/[C@H](COC2=CC=CC=C2)O)O