ChemSpider 2D Image | N-{7-[(2,3-Di-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl}-4-hydroxy-3-(3-methyl-2-buten-1-yl)benzamide | C32H37N3O12

N-{7-[(2,3-Di-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-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 FormulaC32H37N3O12
  • Average mass655.649 Da
  • Monoisotopic mass655.237732 Da
  • ChemSpider ID10226120

  • 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-bis-O-(aminocarbonyl)-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-[(2,3-Di-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-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-[(2,3-Di-O-carbamoyl-6-desoxy-5-methyl-4-O-methyl-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-[(2,3-Di-O-carbamoyl-6-désoxy-5-méthyl-4-O-méthyl-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: 923.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 140.7±3.0 kJ/mol
Flash Point: 512.1±34.3 °C
Index of Refraction: 1.638
Molar Refractivity: 163.9±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 1.46
ACD/BCF (pH 5.5): 4.51
ACD/KOC (pH 5.5): 55.32
ACD/LogD (pH 7.4): -0.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 228 Å2
Polarizability: 65.0±0.5 10-24cm3
Surface Tension: 72.0±5.0 dyne/cm
Molar Volume: 455.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement