ChemSpider 2D Image | 7-({4-[(Ammoniocarbonyl)oxy]-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate | C31H36N2O11

7-({4-[(Ammoniocarbonyl)oxy]-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate

  • Molecular FormulaC31H36N2O11
  • Average mass612.624 Da
  • Monoisotopic mass612.231934 Da
  • ChemSpider ID21235268

More details:

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

7-({4-[(Ammoniocarbonyl)oxy]-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olat [German] [ACD/IUPAC Name]
7-({4-[(Ammoniocarbonyl)oxy]-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-3-{[4-hydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]amino}-8-methyl-2-oxo-2H-chromen-4-olate [ACD/IUPAC Name]
7-({4-[(Ammoniocarbonyl)oxy]-3-hydroxy-5-méthoxy-6,6-diméthyltétrahydro-2H-pyran-2-yl}oxy)-3-{[4-hydroxy-3-(3-méthyl-2-butén-1-yl)benzoyl]amino}-8-méthyl-2-oxo-2H-chromén-4-olate [French] [ACD/IUPAC Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 13
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.08
ACD/LogD (pH 5.5): -0.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -0.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 202 Å2
Polarizability:
Surface Tension:
Molar Volume:

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