ChemSpider 2D Image | {(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetic acid | C18H28O9

{(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetic acid

  • Molecular FormulaC18H28O9
  • Average mass388.409 Da
  • Monoisotopic mass388.173340 Da
  • ChemSpider ID22912900

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 7 defined stereocentres

More details:

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

{(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetic acid [ACD/IUPAC Name]
{(1R,2R)-2-[(2Z)-5-(Hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}essigsäure [German] [ACD/IUPAC Name]
Acide {(1R,2R)-2-[(2Z)-5-(hexopyranosyloxy)-2-pentén-1-yl]-3-oxocyclopentyl}acétique [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 2-[(2Z)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxo-, (1R,2R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 230.5±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 92.5±0.4 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: -2.12
ACD/LogD (pH 5.5): -2.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 154 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 69.2±5.0 dyne/cm
Molar Volume: 277.9±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement