ChemSpider 2D Image | 2,5-Dihydroxy-3-cyclopenten-1-yl 2-hydroxy-7-methoxy-5-methyl-1-naphthoate | C18H18O6

2,5-Dihydroxy-3-cyclopenten-1-yl 2-hydroxy-7-methoxy-5-methyl-1-naphthoate

  • Molecular FormulaC18H18O6
  • Average mass330.332 Da
  • Monoisotopic mass330.110352 Da
  • ChemSpider ID21395561

More details:

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

1-Naphthalenecarboxylic acid, 2-hydroxy-7-methoxy-5-methyl-, 2,5-dihydroxy-3-cyclopenten-1-yl ester [ACD/Index Name]
2,5-Dihydroxy-3-cyclopenten-1-yl 2-hydroxy-7-methoxy-5-methyl-1-naphthoate [ACD/IUPAC Name]
2,5-Dihydroxy-3-cyclopenten-1-yl-2-hydroxy-7-methoxy-5-methyl-1-naphthoat [German] [ACD/IUPAC Name]
2-Hydroxy-7-méthoxy-5-méthyl-1-naphtoate de 2,5-dihydroxy-3-cyclopentén-1-yle [French] [ACD/IUPAC Name]
2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER
(1R,2R,5S)-2,5-dihydroxycyclopent-3-en-1-yl 2-hydroxy-7-methoxy-5-methylnaphthalene-1-carboxylate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL291386/
NCZ

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

Density: 1.4±0.1 g/cm3
Boiling Point: 556.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 204.3±23.6 °C
Index of Refraction: 1.679
Molar Refractivity: 87.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.38
ACD/LogD (pH 5.5): 2.57
ACD/BCF (pH 5.5): 52.60
ACD/KOC (pH 5.5): 592.81
ACD/LogD (pH 7.4): 2.43
ACD/BCF (pH 7.4): 38.67
ACD/KOC (pH 7.4): 435.81
Polar Surface Area: 96 Å2
Polarizability: 34.6±0.5 10-24cm3
Surface Tension: 71.2±5.0 dyne/cm
Molar Volume: 231.5±5.0 cm3

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