ChemSpider 2D Image | N-{7-[(3-O-Carbamoyl-6-deoxy-4-O-methyl-alpha-D-mannopyranosyl)oxy]-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl}-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide | C30H34N2O11

N-{7-[(3-O-Carbamoyl-6-deoxy-4-O-methyl-α-D-mannopyranosyl)oxy]-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl}-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide

  • Molecular FormulaC30H34N2O11
  • Average mass598.598 Da
  • Monoisotopic mass598.216248 Da
  • ChemSpider ID8897595

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-4-O-methyl-α-D-mannopyranosyl]oxy]-2-hydroxy-8-methyl-4-oxo-4H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)- [ACD/Index Name]
N-{7-[(3-O-Carbamoyl-6-deoxy-4-O-methyl-α-D-mannopyranosyl)oxy]-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl}-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide [ACD/IUPAC Name]
N-{7-[(3-O-Carbamoyl-6-desoxy-4-O-methyl-α-D-mannopyranosyl)oxy]-2-hydroxy-8-methyl-4-oxo-4H-chromen-3-yl}-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamid [German] [ACD/IUPAC Name]
N-{7-[(3-O-Carbamoyl-6-désoxy-4-O-méthyl-α-D-mannopyranosyl)oxy]-2-hydroxy-8-méthyl-4-oxo-4H-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: 854.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 130.2±3.0 kJ/mol
Flash Point: 470.8±34.3 °C
Index of Refraction: 1.646
Molar Refractivity: 150.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 1.83
ACD/LogD (pH 5.5): 0.91
ACD/BCF (pH 5.5): 1.72
ACD/KOC (pH 5.5): 27.68
ACD/LogD (pH 7.4): -0.89
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 196 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 415.1±5.0 cm3

Click to predict properties on the Chemicalize site


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