ChemSpider 2D Image | Dimethyl alpha-D-altropyranosiduronate | C8H14O7

Dimethyl α-D-altropyranosiduronate

  • Molecular FormulaC8H14O7
  • Average mass222.193 Da
  • Monoisotopic mass222.073959 Da
  • ChemSpider ID24208014

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

Dimethyl α-D-altropyranosiduronate [ACD/IUPAC Name]
Dimethyl-α-D-altropyranosiduronat [German] [ACD/IUPAC Name]
α-D-Altropyranosiduronic acid, methyl, methyl ester [ACD/Index Name]
(2S,3S,4R,5S,6S)-methyl 3,4,5-trihydroxy-6-methoxytetrahydro-2H-pyran-2-carboxylate
502488-11-1 [RN]
α-D-Altropyranosiduronic acid, methyl, methyl ester (9CI)

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

Density: 1.4±0.1 g/cm3
Boiling Point: 361.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.3±6.0 kJ/mol
Flash Point: 143.6±21.4 °C
Index of Refraction: 1.520
Molar Refractivity: 46.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.50
ACD/LogD (pH 5.5): -0.60
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.28
ACD/LogD (pH 7.4): -0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 11.28
Polar Surface Area: 105 Å2
Polarizability: 18.6±0.5 10-24cm3
Surface Tension: 59.4±5.0 dyne/cm
Molar Volume: 154.1±5.0 cm3

Click to predict properties on the Chemicalize site


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