ChemSpider 2D Image | Methyl D-galacturonate | C7H12O7

Methyl D-galacturonate

  • Molecular FormulaC7H12O7
  • Average mass208.166 Da
  • Monoisotopic mass208.058304 Da
  • ChemSpider ID27474166

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

16048-08-1 [RN]
D-Galacturonate de méthyle [French] [ACD/IUPAC Name]
D-Galacturonic acid, methyl ester [ACD/Index Name]
Methyl D-galacturonate [ACD/IUPAC Name]
Methyl-D-galacturonat [German] [ACD/IUPAC Name]
METHYL-O-D-GALACTURONATE
(2S,3R,4S,5R)-Methyl 2,3,4,5-tetrahydroxy-6-oxohexanoate
D-Galacturonic acid methyl ester
methyl (2S,3R,4S,5R)-2,3,4,5-tetrahydroxy-6-oxohexanoate
methyl galacturonate

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

X890382180 [DBID]
UNII:X890382180 [DBID]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 492.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 87.5±6.0 kJ/mol
Flash Point: 203.4±22.2 °C
Index of Refraction: 1.534
Molar Refractivity: 42.4±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -1.25
ACD/LogD (pH 5.5): -1.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.65
ACD/LogD (pH 7.4): -1.50
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.65
Polar Surface Area: 124 Å2
Polarizability: 16.8±0.5 10-24cm3
Surface Tension: 74.5±3.0 dyne/cm
Molar Volume: 136.4±3.0 cm3

Click to predict properties on the Chemicalize site


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