ChemSpider 2D Image | N-(7-{[6-Deoxy-5-methyl-4-O-methyl-2,3-O-(oxomethylene)-beta-D-gulopyranosyl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide | C31H33NO11

N-(7-{[6-Deoxy-5-methyl-4-O-methyl-2,3-O-(oxomethylene)-β-D-gulopyranosyl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide

  • Molecular FormulaC31H33NO11
  • Average mass595.594 Da
  • Monoisotopic mass595.205383 Da
  • ChemSpider ID10226121

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

Benzamide, N-[7-[(2,3-O-carbonyl-6-deoxy-5-C-methyl-4-O-methyl-β-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
N-(7-{[6-Deoxy-5-methyl-4-O-methyl-2,3-O-(oxomethylene)-β-D-gulopyranosyl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide [ACD/IUPAC Name]
N-(7-{[6-Desoxy-5-methyl-4-O-methyl-2,3-O-(oxomethylen)-β-D-gulopyranosyl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamid [German] [ACD/IUPAC Name]
N-(7-{[6-Désoxy-5-méthyl-4-O-méthyl-2,3-O-(oxométhylène)-β-D-gulopyranosyl]oxy}-4-hydroxy-8-méthyl-2-oxo-2H-chromén-3-yl)-4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzamide [French] [ACD/IUPAC 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: 853.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.0±3.0 kJ/mol
Flash Point: 470.2±34.3 °C
Index of Refraction: 1.637
Molar Refractivity: 149.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.64
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 36.28
ACD/KOC (pH 5.5): 246.02
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.91
Polar Surface Area: 159 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 66.8±5.0 dyne/cm
Molar Volume: 417.5±5.0 cm3

Click to predict properties on the Chemicalize site


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