ChemSpider 2D Image | 4-[(6-O-Acetyl-beta-D-glucopyranosyl)oxy]-1-hydroxy-2-naphthoic acid | C19H20O10

4-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1-hydroxy-2-naphthoic acid

  • Molecular FormulaC19H20O10
  • Average mass408.356 Da
  • Monoisotopic mass408.105652 Da
  • ChemSpider ID84487549

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-Naphthalenecarboxylic acid, 4-[(6-O-acetyl-β-D-glucopyranosyl)oxy]-1-hydroxy- [ACD/Index Name]
4-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1-hydroxy-2-naphthoesäure [German] [ACD/IUPAC Name]
4-[(6-O-Acetyl-β-D-glucopyranosyl)oxy]-1-hydroxy-2-naphthoic acid [ACD/IUPAC Name]
Acide 4-[(6-O-acétyl-β-D-glucopyranosyl)oxy]-1-hydroxy-2-naphtoïque [French] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 673.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.9±3.0 kJ/mol
Flash Point: 241.3±25.0 °C
Index of Refraction: 1.677
Molar Refractivity: 98.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 2.38
ACD/LogD (pH 5.5): -0.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 163 Å2
Polarizability: 38.9±0.5 10-24cm3
Surface Tension: 74.6±3.0 dyne/cm
Molar Volume: 260.6±3.0 cm3

Click to predict properties on the Chemicalize site


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