ChemSpider 2D Image | Methyl 7-{(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(hydroxymethyl)phenyl]cyclopentyl}heptanoate | C20H29ClO4

Methyl 7-{(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(hydroxymethyl)phenyl]cyclopentyl}heptanoate

  • Molecular FormulaC20H29ClO4
  • Average mass368.895 Da
  • Monoisotopic mass368.175446 Da
  • ChemSpider ID76780642

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

7-{(1R,2S,3R,5R)-5-Chloro-3-hydroxy-2-[4-(hydroxyméthyl)phényl]cyclopentyl}heptanoate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneheptanoic acid, 5-chloro-3-hydroxy-2-[4-(hydroxymethyl)phenyl]-, methyl ester, (1R,2S,3R,5R)- [ACD/Index Name]
Methyl 7-{(1R,2S,3R,5R)-5-chloro-3-hydroxy-2-[4-(hydroxymethyl)phenyl]cyclopentyl}heptanoate [ACD/IUPAC Name]
Methyl-7-{(1R,2S,3R,5R)-5-chlor-3-hydroxy-2-[4-(hydroxymethyl)phenyl]cyclopentyl}heptanoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 522.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 83.8±3.0 kJ/mol
Flash Point: 270.0±30.1 °C
Index of Refraction: 1.549
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.99
ACD/KOC (pH 5.5): 1420.51
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.99
ACD/KOC (pH 7.4): 1420.51
Polar Surface Area: 67 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 311.7±5.0 cm3

Click to predict properties on the Chemicalize site


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