ChemSpider 2D Image | 1-Hydroxy-4-(beta-D-xylopyranosyloxy)-2-naphthoic acid | C16H16O8

1-Hydroxy-4-(β-D-xylopyranosyloxy)-2-naphthoic acid

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID84487547

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1-Hydroxy-4-(β-D-xylopyranosyloxy)-2-naphthoesäure [German] [ACD/IUPAC Name]
1-Hydroxy-4-(β-D-xylopyranosyloxy)-2-naphthoic acid [ACD/IUPAC Name]
2-Naphthalenecarboxylic acid, 1-hydroxy-4-(β-D-xylopyranosyloxy)- [ACD/Index Name]
Acide 1-hydroxy-4-(β-D-xylopyranosyloxy)-2-naphtoïque [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 636.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 238.5±25.0 °C
Index of Refraction: 1.746
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 1.98
ACD/LogD (pH 5.5): -1.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.52
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 85.4±3.0 dyne/cm
Molar Volume: 203.0±3.0 cm3

Click to predict properties on the Chemicalize site


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