ChemSpider 2D Image | (2R,3R,4S,5R)-2-(Acetoxymethyl)-6-[(2-oxo-2H-chromen-7-yl)peroxy]tetrahydro-2H-pyran-3,4,5-triyl triacetate | C23H24O13

(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-[(2-oxo-2H-chromen-7-yl)peroxy]tetrahydro-2H-pyran-3,4,5-triyl triacetate

  • Molecular FormulaC23H24O13
  • Average mass508.429 Da
  • Monoisotopic mass508.121704 Da
  • ChemSpider ID17574313

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-[(2-oxo-2H-chromen-7-yl)peroxy]tetrahydro-2H-pyran-3,4,5-triyl triacetate [ACD/IUPAC Name]
(2R,3R,4S,5R)-2-(Acetoxymethyl)-6-[(2-oxo-2H-chromen-7-yl)peroxy]tetrahydro-2H-pyran-3,4,5-triyl-triacetat [German] [ACD/IUPAC Name]
Triacétate de (2R,3R,4S,5R)-2-(acétoxyméthyl)-6-[(2-oxo-2H-chromén-7-yl)peroxy]tétrahydro-2H-pyrane-3,4,5-triyle [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: 583.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.3±3.0 kJ/mol
Flash Point: 249.9±30.2 °C
Index of Refraction: 1.559
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.16
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.61
ACD/KOC (pH 5.5): 855.26
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.61
ACD/KOC (pH 7.4): 855.26
Polar Surface Area: 159 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 57.9±5.0 dyne/cm
Molar Volume: 358.3±5.0 cm3

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