ChemSpider 2D Image | (3R,4S,5R,6R)-5-Hydroxy-3-methoxy-2,2-dimethyl-6-({8-methyl-4-[2-(methylamino)ethoxy]-2-oxo-2H-chromen-7-yl}oxy)tetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate | C27H34N2O9

(3R,4S,5R,6R)-5-Hydroxy-3-methoxy-2,2-dimethyl-6-({8-methyl-4-[2-(methylamino)ethoxy]-2-oxo-2H-chromen-7-yl}oxy)tetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate

  • Molecular FormulaC27H34N2O9
  • Average mass530.567 Da
  • Monoisotopic mass530.226440 Da
  • ChemSpider ID23185367
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(3R,4S,5R,6R)-5-Hydroxy-3-methoxy-2,2-dimethyl-6-({8-methyl-4-[2-(methylamino)ethoxy]-2-oxo-2H-chromen-7-yl}oxy)tetrahydro-2H-pyran-4-yl 5-methyl-1H-pyrrole-2-carboxylate [ACD/IUPAC Name]
(3R,4S,5R,6R)-5-Hydroxy-3-methoxy-2,2-dimethyl-6-({8-methyl-4-[2-(methylamino)ethoxy]-2-oxo-2H-chromen-7-yl}oxy)tetrahydro-2H-pyran-4-yl-5-methyl-1H-pyrrol-2-carboxylat [German] [ACD/IUPAC Name]
5-Méthyl-1H-pyrrole-2-carboxylate de (3R,4S,5R,6R)-5-hydroxy-3-méthoxy-2,2-diméthyl-6-({8-méthyl-4-[2-(méthylamino)éthoxy]-2-oxo-2H-chromén-7-yl}oxy)tétrahydro-2H-pyran-4-yle [French] [ACD/IUPAC Name]
5-Methyl-1H-pyrrole-2-carboxylic acid (3R,4S,5R,6R)-5-hydroxy-3-methoxy-2,2-dimethyl-6-[8-methyl-4-(2-methylamino-ethoxy)-2-oxo-2H-chromen-7-yloxy]-tetrahydro-pyran-4-yl ester

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

Density: 1.3±0.1 g/cm3
Boiling Point: 733.2±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.3±3.0 kJ/mol
Flash Point: 397.2±32.9 °C
Index of Refraction: 1.597
Molar Refractivity: 135.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 0.15
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.19
ACD/LogD (pH 7.4): 1.20
ACD/BCF (pH 7.4): 1.62
ACD/KOC (pH 7.4): 13.36
Polar Surface Area: 138 Å2
Polarizability: 53.7±0.5 10-24cm3
Surface Tension: 59.3±5.0 dyne/cm
Molar Volume: 397.7±5.0 cm3

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