ChemSpider 2D Image | (2R,3R,4R)-2-[(Hexanoyloxy)methyl]-8,10-dihydroxy-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromene-3,4-diyl dihexanoate | C32H46O12

(2R,3R,4R)-2-[(Hexanoyloxy)methyl]-8,10-dihydroxy-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromene-3,4-diyl dihexanoate

  • Molecular FormulaC32H46O12
  • Average mass622.700 Da
  • Monoisotopic mass622.298950 Da
  • ChemSpider ID8524420

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(2R,3R,4R)-2-[(Hexanoyloxy)methyl]-8,10-dihydroxy-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromen-3,4-diyl-dihexanoat [German] [ACD/IUPAC Name]
(2R,3R,4R)-2-[(Hexanoyloxy)methyl]-8,10-dihydroxy-9-methoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromene-3,4-diyl dihexanoate [ACD/IUPAC Name]
Dihexanoate de (2R,3R,4R)-2-[(hexanoyloxy)méthyl]-8,10-dihydroxy-9-méthoxy-6-oxo-2,3,4,4a,6,10b-hexahydropyrano[3,2-c]isochromène-3,4-diyle [French] [ACD/IUPAC Name]
Hexanoic acid, (2R,3R,4R)-2,3,4,4a,6,10b-hexahydro-8,10-dihydroxy-9-methoxy-6-oxo-2-[[(1-oxohexyl)oxy]methyl]pyrano[3,2-c][2]benzopyran-3,4-diyl ester [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 715.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 219.6±26.4 °C
Index of Refraction: 1.548
Molar Refractivity: 156.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: 7.63
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 514245.72
ACD/KOC (pH 5.5): 425838.38
ACD/LogD (pH 7.4): 7.72
ACD/BCF (pH 7.4): 413481.44
ACD/KOC (pH 7.4): 342397.16
Polar Surface Area: 164 Å2
Polarizability: 62.2±0.5 10-24cm3
Surface Tension: 55.0±5.0 dyne/cm
Molar Volume: 494.3±5.0 cm3

Click to predict properties on the Chemicalize site


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