ChemSpider 2D Image | Methyl 4-[(2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranosyl)oxy]-3-methoxybenzoate | C23H29NO12

Methyl 4-[(2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranosyl)oxy]-3-methoxybenzoate

  • Molecular FormulaC23H29NO12
  • Average mass511.476 Da
  • Monoisotopic mass511.168976 Da
  • ChemSpider ID35472892

More details:

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

4-[(2-Acétamido-3,4,6-tri-O-acétyl-2-désoxyhexopyranosyl)oxy]-3-méthoxybenzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-methoxy-4-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]oxy]-, methyl ester [ACD/Index Name]
Methyl 4-[(2-acetamido-3,4,6-tri-O-acetyl-2-deoxyhexopyranosyl)oxy]-3-methoxybenzoate [ACD/IUPAC Name]
Methyl-4-[(2-acetamido-3,4,6-tri-O-acetyl-2-desoxyhexopyranosyl)oxy]-3-methoxybenzoat [German] [ACD/IUPAC Name]
4-(4,5-Diacetoxy-6-acetoxymethyl-3-acetylamino-tetrahydro-pyran-2-yloxy)-3-methoxy-benzoic acid methyl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 660.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 353.4±31.5 °C
Index of Refraction: 1.534
Molar Refractivity: 119.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 1
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 1.63
ACD/LogD (pH 5.5): 1.47
ACD/BCF (pH 5.5): 7.68
ACD/KOC (pH 5.5): 149.79
ACD/LogD (pH 7.4): 1.47
ACD/BCF (pH 7.4): 7.68
ACD/KOC (pH 7.4): 149.79
Polar Surface Area: 162 Å2
Polarizability: 47.5±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 385.2±5.0 cm3

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