ChemSpider 2D Image | Methyl 1,2,3,4-tetrakis-O-(2,2-dimethylpropanoyl)-beta-D-glucopyranuronate | C27H44O11

Methyl 1,2,3,4-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-glucopyranuronate

  • Molecular FormulaC27H44O11
  • Average mass544.632 Da
  • Monoisotopic mass544.288391 Da
  • ChemSpider ID9516716

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1,2,3,4-Tétrakis-O-(2,2-diméthylpropanoyl)-β-D-glucopyranuronate de méthyle [French] [ACD/IUPAC Name]
248939-38-0 [RN]
86448-91-1 [RN]
methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetrakis[(2,2-dimethylpropanoyl)oxy]oxane-2-carboxylate
Methyl 1,2,3,4-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-glucopyranuronate [ACD/IUPAC Name]
Methyl-1,2,3,4-tetrakis-O-(2,2-dimethylpropanoyl)-β-D-glucopyranuronat [German] [ACD/IUPAC Name]
β-D-Glucopyranuronic acid, methyl ester, tetrakis(2,2-dimethylpropanoate) [ACD/Index Name]
1,2,3,4-Tetra-O-pivaloyl-β-D-glucuronic acid methyl ester
Methyl (2S,3S,4S,5R,6S)-3,4,5,6-tetrakis(2,2-dimethylpropanoyloxy)oxane-2-carboxylate
Methyl 1,2,3,4-tetra-O-pivaloyl-β-D-glucopyranosyluronate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 531.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.7±3.0 kJ/mol
Flash Point: 219.0±30.2 °C
Index of Refraction: 1.482
Molar Refractivity: 136.0±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.93
ACD/BCF (pH 5.5): 19070.73
ACD/KOC (pH 5.5): 40315.64
ACD/LogD (pH 7.4): 5.93
ACD/BCF (pH 7.4): 19070.73
ACD/KOC (pH 7.4): 40315.64
Polar Surface Area: 141 Å2
Polarizability: 53.9±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 476.9±5.0 cm3

Click to predict properties on the Chemicalize site


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