ChemSpider 2D Image | Methyl [(1R,2S)-3-oxo-2-{(2Z)-5-[(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)oxy]-2-penten-1-yl}cyclopentyl]acetate | C27H38O13

Methyl [(1R,2S)-3-oxo-2-{(2Z)-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2-penten-1-yl}cyclopentyl]acetate

  • Molecular FormulaC27H38O13
  • Average mass570.583 Da
  • Monoisotopic mass570.231262 Da
  • ChemSpider ID9247032

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

[(1R,2S)-3-Oxo-2-{(2Z)-5-[(2,3,4,6-tétra-O-acétyl-β-D-glucopyranosyl)oxy]-2-pentén-1-yl}cyclopentyl]acétate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneacetic acid, 3-oxo-2-[(2Z)-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2-penten-1-yl]-, methyl ester, (1R,2S)- [ACD/Index Name]
Methyl [(1R,2S)-3-oxo-2-{(2Z)-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2-penten-1-yl}cyclopentyl]acetate [ACD/IUPAC Name]
Methyl-[(1R,2S)-3-oxo-2-{(2Z)-5-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]-2-penten-1-yl}cyclopentyl]acetat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.0±3.0 kJ/mol
Flash Point: 255.6±31.5 °C
Index of Refraction: 1.510
Molar Refractivity: 135.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 2
ACD/LogP: 2.24
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.99
ACD/KOC (pH 5.5): 415.78
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.99
ACD/KOC (pH 7.4): 415.78
Polar Surface Area: 167 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 453.7±5.0 cm3

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