ChemSpider 2D Image | 2-[(Benzyloxy)carbonyl]phenyl methyl (5xi)-2,3,4-tri-O-acetyl-beta-L-lyxo-hexopyranosiduronate | C27H28O12

2-[(Benzyloxy)carbonyl]phenyl methyl (5ξ)-2,3,4-tri-O-acetyl-β-L-lyxo-hexopyranosiduronate

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID23976230

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-[(Benzyloxy)carbonyl]phenyl methyl (5ξ)-2,3,4-tri-O-acetyl-β-L-lyxo-hexopyranosiduronate [ACD/IUPAC Name]
2-[(Benzyloxy)carbonyl]phenyl-methyl-(5ξ)-2,3,4-tri-O-acetyl-β-L-lyxo-hexopyranosiduronat [German] [ACD/IUPAC Name]
Benzoic acid, 2-[[(5ξ)-2,3,4-tri-O-acetyl-6-methyl-β-L-lyxo-hexopyranuronosyl]oxy]-, phenylmethyl ester [ACD/Index Name]
221287-88-3 [RN]
Methyl (3R,4R,5R,6R)-3,4,5-triacetyloxy-6-(2-phenylmethoxycarbonylphenoxy)oxane-2-carboxylate
Methyl 1-((2-Benzyloxycarbonxyl)phenyl)-2,3,4-tri-O-acetyl-?-D-glucopyranuronate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.9±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: 258.7±31.5 °C
Index of Refraction: 1.564
Molar Refractivity: 131.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 469.88
ACD/KOC (pH 5.5): 2845.83
ACD/LogD (pH 7.4): 3.82
ACD/BCF (pH 7.4): 469.88
ACD/KOC (pH 7.4): 2845.83
Polar Surface Area: 150 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 55.8±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

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