ChemSpider 2D Image | 7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-(4-methoxyphenyl)pentyl]cyclopentyl}heptanoic acid | C24H38O6

7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-(4-methoxyphenyl)pentyl]cyclopentyl}heptanoic acid

  • Molecular FormulaC24H38O6
  • Average mass422.555 Da
  • Monoisotopic mass422.266846 Da
  • ChemSpider ID23133924

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-(4-methoxyphenyl)pentyl]cyclopentyl}heptanoic acid [ACD/IUPAC Name]
7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3R)-3-hydroxy-5-(4-methoxyphenyl)pentyl]cyclopentyl}heptansäure [German] [ACD/IUPAC Name]
Acide 7-{(1R,2R,3R,5S)-3,5-dihydroxy-2-[(3R)-3-hydroxy-5-(4-méthoxyphényl)pentyl]cyclopentyl}heptanoïque [French] [ACD/IUPAC Name]
Cyclopentaneheptanoic acid, 3,5-dihydroxy-2-[(3R)-3-hydroxy-5-(4-methoxyphenyl)pentyl]-, (1R,2R,3R,5S)- [ACD/Index Name]
7-{(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(R)-3-hydroxy-5-(4-methoxy-phenyl)-pentyl]-cyclopentyl}-heptanoic acid
CHEMBL416784

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 631.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 98.2±3.0 kJ/mol
Flash Point: 210.6±23.6 °C
Index of Refraction: 1.546
Molar Refractivity: 116.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 0
ACD/LogP: 2.60
ACD/LogD (pH 5.5): 2.14
ACD/BCF (pH 5.5): 16.12
ACD/KOC (pH 5.5): 151.02
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.42
Polar Surface Area: 107 Å2
Polarizability: 46.1±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 367.1±3.0 cm3

Click to predict properties on the Chemicalize site


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