ChemSpider 2D Image | 4-{[4-(beta-L-Glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutanoyl]amino}butanoic acid | C16H29NO10

4-{[4-(β-L-Glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutanoyl]amino}butanoic acid

  • Molecular FormulaC16H29NO10
  • Average mass395.402 Da
  • Monoisotopic mass395.179138 Da
  • ChemSpider ID68026452

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4-{[4-(β-L-Glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutanoyl]amino}butanoic acid [ACD/IUPAC Name]
4-{[4-(β-L-Glucopyranosyloxy)-2-hydroxy-3,3-dimethylbutanoyl]amino}butansäure [German] [ACD/IUPAC Name]
Acide 4-{[4-(β-L-glucopyranosyloxy)-2-hydroxy-3,3-diméthylbutanoyl]amino}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[4-(β-L-glucopyranosyloxy)-2-hydroxy-3,3-dimethyl-1-oxobutyl]amino]- [ACD/Index Name]
Hopantenic acid glucoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.0 mmHg at 25°C
Enthalpy of Vaporization: 128.1±6.0 kJ/mol
Flash Point: 420.6±32.9 °C
Index of Refraction: 1.571
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: -3.11
ACD/LogD (pH 5.5): -3.46
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.26
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 73.4±5.0 dyne/cm
Molar Volume: 275.7±5.0 cm3

Click to predict properties on the Chemicalize site


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