ChemSpider 2D Image | (3aS,4R,7R,7aS)-7-Hydroxy-4-(hydroxymethyl)-2,2,7-trimethyltetrahydro-6H-[1,3]dioxolo[4,5-c]pyran-6-one | C10H16O6

(3aS,4R,7R,7aS)-7-Hydroxy-4-(hydroxymethyl)-2,2,7-trimethyltetrahydro-6H-[1,3]dioxolo[4,5-c]pyran-6-one

  • Molecular FormulaC10H16O6
  • Average mass232.230 Da
  • Monoisotopic mass232.094681 Da
  • ChemSpider ID24744308

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,4R,7R,7aS)-7-Hydroxy-4-(hydroxymethyl)-2,2,7-trimethyltetrahydro-6H-[1,3]dioxolo[4,5-c]pyran-6-on [German] [ACD/IUPAC Name]
(3aS,4R,7R,7aS)-7-Hydroxy-4-(hydroxymethyl)-2,2,7-trimethyltetrahydro-6H-[1,3]dioxolo[4,5-c]pyran-6-one [ACD/IUPAC Name]
(3aS,4R,7R,7aS)-7-Hydroxy-4-(hydroxyméthyl)-2,2,7-triméthyltétrahydro-6H-[1,3]dioxolo[4,5-c]pyran-6-one [French] [ACD/IUPAC 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: 415.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.2±6.0 kJ/mol
Flash Point: 164.4±22.2 °C
Index of Refraction: 1.486
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: -0.02
ACD/LogD (pH 5.5): -0.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 20.10
ACD/LogD (pH 7.4): -0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 20.10
Polar Surface Area: 85 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 39.5±3.0 dyne/cm
Molar Volume: 182.7±3.0 cm3

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