ChemSpider 2D Image | 2-(Methoxycarbonyl)phenyl 2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-4,6-O-(4-methoxybenzylidene)hexopyranoside | C27H31NO11

2-(Methoxycarbonyl)phenyl 2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-4,6-O-(4-methoxybenzylidene)hexopyranoside

  • Molecular FormulaC27H31NO11
  • Average mass545.535 Da
  • Monoisotopic mass545.189697 Da
  • ChemSpider ID4024575

More details:

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

2-(Methoxycarbonyl)phenyl 2-acetamido-3-O-(1-carboxyethyl)-2-deoxy-4,6-O-(4-methoxybenzylidene)hexopyranoside [ACD/IUPAC Name]
2-(Methoxycarbonyl)phenyl-2-acetamido-3-O-(1-carboxyethyl)-2-desoxy-4,6-O-(4-methoxybenzyliden)hexopyranosid [German] [ACD/IUPAC Name]
2-Acétamido-3-O-(1-carboxyéthyl)-2-désoxy-4,6-O-(4-méthoxybenzylidène)hexopyranoside de 2-(méthoxycarbonyl)phényle [French] [ACD/IUPAC Name]
Benzoic acid, 2-[[2-(acetylamino)-3-O-(1-carboxyethyl)-2-deoxy-4,6-O-[(4-methoxyphenyl)methylene]hexopyranosyl]oxy]-, 1-methyl ester [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: 786.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.9±3.0 kJ/mol
Flash Point: 429.2±32.9 °C
Index of Refraction: 1.592
Molar Refractivity: 134.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.46
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.73
ACD/LogD (pH 7.4): -0.70
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 148 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 397.4±5.0 cm3

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