ChemSpider 2D Image | Methyl 2,3,4-tri-O-acetyl-1-C-{2-[(benzyloxy)carbonyl]phenyl}-D-glucopyranuronate | C27H28O12

Methyl 2,3,4-tri-O-acetyl-1-C-{2-[(benzyloxy)carbonyl]phenyl}-D-glucopyranuronate

  • Molecular FormulaC27H28O12
  • Average mass544.504 Da
  • Monoisotopic mass544.158081 Da
  • ChemSpider ID50645834

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2,3,4-Tri-O-acétyl-1-C-{2-[(benzyloxy)carbonyl]phényl}-D-glucopyranuronate de méthyle [French] [ACD/IUPAC Name]
221287-88-3 [RN]
D-Glucopyranuronic acid, 1-C-[2-[(phenylmethoxy)carbonyl]phenyl]-, methyl ester, 2,3,4-triacetate [ACD/Index Name]
Methyl 2,3,4-tri-O-acetyl-1-C-{2-[(benzyloxy)carbonyl]phenyl}-D-glucopyranuronate [ACD/IUPAC Name]
Methyl-2,3,4-tri-O-acetyl-1-C-{2-[(benzyloxy)carbonyl]phenyl}-D-glucopyranuronat [German] [ACD/IUPAC Name]
Methyl 1-((2-benzyloxycarbonxyl)phenyl)-2,3,4-tri-o-acetyl-β-D-glucopyranuronate
Methyl 1-((2-benzyloxycarbonxyl)phenyl)-2,3,4-tri-o-acetyl-β-D-glucopyranuronate

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

Density: 1.4±0.1 g/cm3
Boiling Point: 639.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.3±3.0 kJ/mol
Flash Point: 206.7±25.0 °C
Index of Refraction: 1.579
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 182.79
ACD/KOC (pH 5.5): 1447.80
ACD/LogD (pH 7.4): 3.28
ACD/BCF (pH 7.4): 182.46
ACD/KOC (pH 7.4): 1445.21
Polar Surface Area: 161 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 59.9±5.0 dyne/cm
Molar Volume: 395.4±5.0 cm3

Click to predict properties on the Chemicalize site


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