ChemSpider 2D Image | N-(7-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3,5-dimethylbenzamide | C27H31NO10

N-(7-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3,5-dimethylbenzamide

  • Molecular FormulaC27H31NO10
  • Average mass529.536 Da
  • Monoisotopic mass529.194824 Da
  • ChemSpider ID26355846

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

N-(7-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3,5-dimethylbenzamid [German] [ACD/IUPAC Name]
N-(7-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-8-methyl-2-oxo-2H-chromen-3-yl)-4-hydroxy-3,5-dimethylbenzamide [ACD/IUPAC Name]
N-(7-{[(2R,3R,4S,5R)-3,4-Dihydroxy-5-méthoxy-6,6-diméthyltétrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-8-méthyl-2-oxo-2H-chromén-3-yl)-4-hydroxy-3,5-diméthylbenzamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 807.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 441.9±34.3 °C
Index of Refraction: 1.652
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 11
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 1.05
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 33.25
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 73.1±5.0 dyne/cm
Molar Volume: 364.3±5.0 cm3

Click to predict properties on the Chemicalize site


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