ChemSpider 2D Image | 2-{[(1R,2R,3R)-2,3-Dihydroxycyclohexyl]oxy}-1H-isoindole-1,3(2H)-dione | C14H15NO5

2-{[(1R,2R,3R)-2,3-Dihydroxycyclohexyl]oxy}-1H-isoindole-1,3(2H)-dione

  • Molecular FormulaC14H15NO5
  • Average mass277.273 Da
  • Monoisotopic mass277.095032 Da
  • ChemSpider ID94288033

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1H-Isoindole-1,3(2H)-dione, 2-[[(1R,2R,3R)-2,3-dihydroxycyclohexyl]oxy]- [ACD/Index Name]
2-{[(1R,2R,3R)-2,3-Dihydroxycyclohexyl]oxy}-1H-isoindol-1,3(2H)-dion [German] [ACD/IUPAC Name]
2-{[(1R,2R,3R)-2,3-Dihydroxycyclohexyl]oxy}-1H-isoindole-1,3(2H)-dione [ACD/IUPAC Name]
2-{[(1R,2R,3R)-2,3-Dihydroxycyclohexyl]oxy}-1H-isoindole-1,3(2H)-dione [French] [ACD/IUPAC Name]
rac-2-{[(1R,2R,3R)-2,3-dihydroxycyclohexyl]oxy}-2,3-dihydro-1H-isoindole-1,3-dione

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

Density: 1.5±0.1 g/cm3
Boiling Point: 457.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.6±3.0 kJ/mol
Flash Point: 230.6±31.5 °C
Index of Refraction: 1.655
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.60
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 55.22
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.22
Polar Surface Area: 87 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 74.0±5.0 dyne/cm
Molar Volume: 187.0±5.0 cm3

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