ChemSpider 2D Image | 2-Methylphenyl (5xi)-beta-L-lyxo-hexopyranosiduronic acid | C13H16O7

2-Methylphenyl (5ξ)-β-L-lyxo-hexopyranosiduronic acid

  • Molecular FormulaC13H16O7
  • Average mass284.262 Da
  • Monoisotopic mass284.089600 Da
  • ChemSpider ID23976933

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

2-Methylphenyl (5ξ)-β-L-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
2-Methylphenyl-(5ξ)-β-L-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-β-L-lyxo-hexopyranosiduronique de 2-méthylphényle [French] [ACD/IUPAC Name]
β-L-lyxo-Hexopyranosiduronic acid, 2-methylphenyl, (5ξ)- [ACD/Index Name]
111897-99-5 [RN]
22904-44-5 [RN]
o-Cresol ?-D-Glucuronide
o-Cresol |A-D-Glucuronide
o-Cresol β-D-Glucuronide
o-Cresol α-D-Glucuronide

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

Density: 1.5±0.1 g/cm3
Boiling Point: 541.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 208.2±23.6 °C
Index of Refraction: 1.634
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.37
ACD/LogD (pH 5.5): -3.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 116 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 79.3±3.0 dyne/cm
Molar Volume: 186.5±3.0 cm3

Click to predict properties on the Chemicalize site


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