ChemSpider 2D Image | Methyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetate | C19H30O9

Methyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetate

  • Molecular FormulaC19H30O9
  • Average mass402.436 Da
  • Monoisotopic mass402.188995 Da
  • ChemSpider ID74886380

  • Double-bond stereo - Double-bond stereo

More details:

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

{2-[(2E)-5-(Hexopyranosyloxy)-2-pentén-1-yl]-3-oxocyclopentyl}acétate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, methyl ester [ACD/Index Name]
Methyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetate [ACD/IUPAC Name]
Methyl-{2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetat [German] [ACD/IUPAC Name]
methyl 2-{3-oxo-2-[(2E)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}pent-2-en-1-yl]cyclopentyl}acetate

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

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.9±6.0 kJ/mol
Flash Point: 203.6±23.6 °C
Index of Refraction: 1.556
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: -1.66
ACD/LogD (pH 5.5): -1.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.22
ACD/LogD (pH 7.4): -1.07
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 6.22
Polar Surface Area: 143 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 302.8±5.0 cm3

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