ChemSpider 2D Image | Dimethyl (1R,2R,4S,5R,6S,7R)-3,8-dioxatricyclo[3.2.1.0~2,4~]octane-6,7-dicarboxylate | C10H12O6

Dimethyl (1R,2R,4S,5R,6S,7R)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate

  • Molecular FormulaC10H12O6
  • Average mass228.199 Da
  • Monoisotopic mass228.063385 Da
  • ChemSpider ID34258708

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2R,4S,5R,6S,7R)-3,8-Dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate de diméthyle [French] [ACD/IUPAC Name]
3,8-Dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylic acid, dimethyl ester, (1R,2R,4S,5R,6S,7R)- [ACD/Index Name]
Dimethyl (1R,2R,4S,5R,6S,7R)-3,8-dioxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate [ACD/IUPAC Name]
Dimethyl-(1R,2R,4S,5R,6S,7R)-3,8-dioxatricyclo[3.2.1.02,4]octan-6,7-dicarboxylat [German] [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: 317.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.9±3.0 kJ/mol
Flash Point: 140.0±27.9 °C
Index of Refraction: 1.518
Molar Refractivity: 48.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.22
ACD/LogD (pH 5.5): 0.67
ACD/BCF (pH 5.5): 1.90
ACD/KOC (pH 5.5): 55.08
ACD/LogD (pH 7.4): 0.67
ACD/BCF (pH 7.4): 1.90
ACD/KOC (pH 7.4): 55.08
Polar Surface Area: 74 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 161.3±3.0 cm3

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