ChemSpider 2D Image | 2-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl 2-acetamido-3-O-(carboxymethyl)-2-deoxy-4,6-O-(4-methoxybenzylidene)hexopyranoside | C29H33NO12

2-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl 2-acetamido-3-O-(carboxymethyl)-2-deoxy-4,6-O-(4-methoxybenzylidene)hexopyranoside

  • Molecular FormulaC29H33NO12
  • Average mass587.572 Da
  • Monoisotopic mass587.200256 Da
  • ChemSpider ID4025387

More details:

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

2-Acétamido-3-O-(carboxyméthyl)-2-désoxy-4,6-O-(4-méthoxybenzylidène)hexopyranoside de 2-méthoxy-4-(3-méthoxy-3-oxo-1-propén-1-yl)phényle [French] [ACD/IUPAC Name]
2-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl 2-acetamido-3-O-(carboxymethyl)-2-deoxy-4,6-O-(4-methoxybenzylidene)hexopyranoside [ACD/IUPAC Name]
2-Methoxy-4-(3-methoxy-3-oxo-1-propen-1-yl)phenyl-2-acetamido-3-O-(carboxymethyl)-2-desoxy-4,6-O-(4-methoxybenzyliden)hexopyranosid [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-[4-[[2-(acetylamino)-3-O-(carboxymethyl)-2-deoxy-4,6-O-[(4-methoxyphenyl)methylene]hexopyranosyl]oxy]-3-methoxyphenyl]-, 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: 836.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 459.8±34.3 °C
Index of Refraction: 1.595
Molar Refractivity: 145.3±0.4 cm3
#H bond acceptors: 13
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.05
ACD/LogD (pH 7.4): -1.15
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 157 Å2
Polarizability: 57.6±0.5 10-24cm3
Surface Tension: 60.6±5.0 dyne/cm
Molar Volume: 427.7±5.0 cm3

Click to predict properties on the Chemicalize site


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