ChemSpider 2D Image | (3S,4S,5R)-3,4-Dihydroxy-4-methyl-5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]dihydro-2(3H)-furanone | C11H18O6

(3S,4S,5R)-3,4-Dihydroxy-4-methyl-5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]dihydro-2(3H)-furanone

  • Molecular FormulaC11H18O6
  • Average mass246.257 Da
  • Monoisotopic mass246.110336 Da
  • ChemSpider ID24737580

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,4S,5R)-3,4-Dihydroxy-4-methyl-5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4S,5R)-3,4-Dihydroxy-4-methyl-5-[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4S,5R)-3,4-Dihydroxy-4-méthyl-5-[(4S)-2,2,4-triméthyl-1,3-dioxolan-4-yl]dihydro-2(3H)-furanone [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: 349.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 68.8±6.0 kJ/mol
Flash Point: 130.7±21.4 °C
Index of Refraction: 1.512
Molar Refractivity: 57.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.12
ACD/LogD (pH 5.5): -0.21
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.36
ACD/LogD (pH 7.4): -0.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.36
Polar Surface Area: 85 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 46.7±3.0 dyne/cm
Molar Volume: 189.9±3.0 cm3

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