ChemSpider 2D Image | 3-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-4,5-dihydroxybenzoic acid | C18H24O14

3-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-4,5-dihydroxybenzoic acid

  • Molecular FormulaC18H24O14
  • Average mass464.375 Da
  • Monoisotopic mass464.116608 Da
  • ChemSpider ID57488247

More details:

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

3-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-4,5-dihydroxybenzoesäure [German] [ACD/IUPAC Name]
3-({6-O-[3,4-Dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]hexopyranosyl}oxy)-4,5-dihydroxybenzoic acid [ACD/IUPAC Name]
Acide 3-({6-O-[3,4-dihydroxy-4-(hydroxyméthyl)tétrahydro-2-furanyl]hexopyranosyl}oxy)-4,5-dihydroxybenzoïque [French] [ACD/IUPAC Name]
Benzoic acid, 3,4-dihydroxy-5-[[6-O-[tetrahydro-3,4-dihydroxy-4-(hydroxymethyl)-2-furanyl]hexopyranosyl]oxy]- [ACD/Index Name]
mudanoside B

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

Density: 1.9±0.1 g/cm3
Boiling Point: 877.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 133.6±3.0 kJ/mol
Flash Point: 309.8±27.8 °C
Index of Refraction: 1.723
Molar Refractivity: 99.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 9
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.87
ACD/LogD (pH 5.5): -2.68
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 236 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 129.0±5.0 dyne/cm
Molar Volume: 249.8±5.0 cm3

Click to predict properties on the Chemicalize site


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