ChemSpider 2D Image | Ethyl 2-hydroxy-7-({(2R,3R,4S,5R)-3-hydroxy-5-methoxy-4-[(methoxycarbamoyl)oxy]-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-8-methyl-4-oxo-4H-chromene-3-carboxylate | C23H29NO12

Ethyl 2-hydroxy-7-({(2R,3R,4S,5R)-3-hydroxy-5-methoxy-4-[(methoxycarbamoyl)oxy]-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-8-methyl-4-oxo-4H-chromene-3-carboxylate

  • Molecular FormulaC23H29NO12
  • Average mass511.476 Da
  • Monoisotopic mass511.168976 Da
  • ChemSpider ID23139054

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Hydroxy-7-({(2R,3R,4S,5R)-3-hydroxy-5-méthoxy-4-[(méthoxycarbamoyl)oxy]-6,6-diméthyltétrahydro-2H-pyran-2-yl}oxy)-8-méthyl-4-oxo-4H-chromène-3-carboxylate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 2-hydroxy-7-({(2R,3R,4S,5R)-3-hydroxy-5-methoxy-4-[(methoxycarbamoyl)oxy]-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-8-methyl-4-oxo-4H-chromene-3-carboxylate [ACD/IUPAC Name]
Ethyl-2-hydroxy-7-({(2R,3R,4S,5R)-3-hydroxy-5-methoxy-4-[(methoxycarbamoyl)oxy]-6,6-dimethyltetrahydro-2H-pyran-2-yl}oxy)-8-methyl-4-oxo-4H-chromen-3-carboxylat [German] [ACD/IUPAC Name]
ethyl 7-[4-methoxycarbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyl-(2R,3R,4R,5R)-tetrahydro-2H-2-pyranyloxy]-4-hydroxy-8-methyl-2-oxo-2H-3-chromenecarboxylate

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.582
Molar Refractivity: 120.0±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.03
ACD/LogD (pH 5.5): 0.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.05
ACD/LogD (pH 7.4): -1.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 168 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 61.9±5.0 dyne/cm
Molar Volume: 359.7±5.0 cm3

Click to predict properties on the Chemicalize site


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