ChemSpider 2D Image | Methyl (1R,2R,3R)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentanecarboxylate | C14H16O6

Methyl (1R,2R,3R)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentanecarboxylate

  • Molecular FormulaC14H16O6
  • Average mass280.273 Da
  • Monoisotopic mass280.094696 Da
  • ChemSpider ID78440839

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,3R)-2-(2,5-Dihydroxybenzoyl)-3-hydroxycyclopentanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-(2,5-dihydroxybenzoyl)-3-hydroxy-, methyl ester, (1R,2R,3R)- [ACD/Index Name]
Methyl (1R,2R,3R)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentanecarboxylate [ACD/IUPAC Name]
Methyl-(1R,2R,3R)-2-(2,5-dihydroxybenzoyl)-3-hydroxycyclopentancarboxylat [German] [ACD/IUPAC Name]
(+)-applanatumol Z

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

Density: 1.4±0.1 g/cm3
Boiling Point: 495.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.3±3.0 kJ/mol
Flash Point: 188.2±22.2 °C
Index of Refraction: 1.617
Molar Refractivity: 69.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.05
ACD/LogD (pH 5.5): 1.31
ACD/BCF (pH 5.5): 5.80
ACD/KOC (pH 5.5): 122.50
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 5.46
ACD/KOC (pH 7.4): 115.27
Polar Surface Area: 104 Å2
Polarizability: 27.4±0.5 10-24cm3
Surface Tension: 68.2±3.0 dyne/cm
Molar Volume: 197.2±3.0 cm3

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