ChemSpider 2D Image | Gaultherin | C19H26O12

Gaultherin

  • Molecular FormulaC19H26O12
  • Average mass446.402 Da
  • Monoisotopic mass446.142426 Da
  • ChemSpider ID30783355

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

2-{[6-O-(β-D-Xylofuranosyl)-β-D-glucopyranosyl]oxy}benzoate de méthyle [French] [ACD/IUPAC Name]
490-67-5 [RN]
Benzoic acid, 2-[(6-O-β-D-xylofuranosyl-β-D-glucopyranosyl)oxy]-, methyl ester [ACD/Index Name]
Gaultherin
Methyl 2-{[6-O-(β-D-xylofuranosyl)-β-D-glucopyranosyl]oxy}benzoate [ACD/IUPAC Name]
Methyl-2-{[6-O-(β-D-xylofuranosyl)-β-D-glucopyranosyl]oxy}benzoat [German] [ACD/IUPAC Name]
[490-67-5] [RN]
methyl 2-[(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxybenzoate
MFCD09953809

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

Density: 1.6±0.1 g/cm3
Boiling Point: 730.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.0±3.0 kJ/mol
Flash Point: 257.3±26.4 °C
Index of Refraction: 1.633
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 0.45
ACD/LogD (pH 5.5): -0.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 10.02
ACD/LogD (pH 7.4): -0.69
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.02
Polar Surface Area: 185 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 84.5±5.0 dyne/cm
Molar Volume: 281.8±5.0 cm3

Click to predict properties on the Chemicalize site


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