ChemSpider 2D Image | 1-Naphthyl (5xi)-beta-D-lyxo-hexopyranosiduronic acid | C16H16O7

1-Naphthyl (5ξ)-β-D-lyxo-hexopyranosiduronic acid

  • Molecular FormulaC16H16O7
  • Average mass320.294 Da
  • Monoisotopic mass320.089600 Da
  • ChemSpider ID23976339

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

1-Naphthyl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
1-Naphthyl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-β-D-lyxo-hexopyranosiduronique de 1-naphtyle [French] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranosiduronic acid, 1-naphthalenyl, (5ξ)- [ACD/Index Name]
17238-47-0 [RN]
1-Naphthol β-D-Glucuronide

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

Density: 1.6±0.1 g/cm3
Boiling Point: 623.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 234.9±25.0 °C
Index of Refraction: 1.708
Molar Refractivity: 79.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.40
ACD/LogD (pH 5.5): -2.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 31.6±0.5 10-24cm3
Surface Tension: 86.5±3.0 dyne/cm
Molar Volume: 204.3±3.0 cm3

Click to predict properties on the Chemicalize site


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