ChemSpider 2D Image | (3R,4S,5R,6R)-5-Hydroxy-6-{[2-hydroxy-3-({4-hydroxy-3-[3-methyl(1,4-~13~C_2_)-2-buten-1-yl]benzoyl}amino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyl(6-~13~C)tetrahydro-2H-pyran-4-yl ca rbamate | C2813C3H36N2O11

(3R,4S,5R,6R)-5-Hydroxy-6-{[2-hydroxy-3-({4-hydroxy-3-[3-methyl(1,4-13C2)-2-buten-1-yl]benzoyl}amino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyl(6-13C)tetrahydro-2H-pyran-4-yl ca rbamate

  • Molecular FormulaC2813C3H36N2O11
  • Average mass615.602 Da
  • Monoisotopic mass615.242004 Da
  • ChemSpider ID8802974

  • defined stereocentres - 4 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4S,5R,6R)-5-Hydroxy-6-{[2-hydroxy-3-({4-hydroxy-3-[3-methyl(1,4-13C2)-2-buten-1-yl]benzoyl}amino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyl(6-13C)tetrahydro-2H-pyran-4-yl ca ;rbamate [ACD/IUPAC Name]
(3R,4S,5R,6R)-5-Hydroxy-6-{[2-hydroxy-3-({4-hydroxy-3-[3-methyl(1,4-13C2)-2-buten-1-yl]benzoyl}amino)-8-methyl-4-oxo-4H-chromen-7-yl]oxy}-3-methoxy-2,2-dimethyl(6-13C)tetrahydro-2H-pyran-4-ylcar ;bamat [German] [ACD/IUPAC Name]
Carbamate de (3R,4S,5R,6R)-5-hydroxy-6-{[2-hydroxy-3-({4-hydroxy-3-[3-méthyl(1,4-13C2)-2-butén-1-yl]benzoyl}amino)-8-méthyl-4-oxo-4H-chromén-7-yl]oxy}-3-méthoxy-2,2-diméthyl(6-13C)tétrahydro-2H-
 pyran-4-yle [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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 155.3±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 61.6±0.5 10-24cm3
Surface Tension: 70.6±5.0 dyne/cm
Molar Volume: 431.0±5.0 cm3

Click to predict properties on the Chemicalize site


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