ChemSpider 2D Image | 4-Hydroxy-2,6-diisopropylphenyl (5xi)-beta-D-lyxo-hexopyranosiduronic acid | C18H26O8

4-Hydroxy-2,6-diisopropylphenyl (5ξ)-β-D-lyxo-hexopyranosiduronic acid

  • Molecular FormulaC18H26O8
  • Average mass370.394 Da
  • Monoisotopic mass370.162781 Da
  • ChemSpider ID23976535

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

4-Hydroxy-2,6-diisopropylphenyl (5ξ)-β-D-lyxo-hexopyranosiduronic acid [ACD/IUPAC Name]
4-Hydroxy-2,6-diisopropylphenyl-(5ξ)-β-D-lyxo-hexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide (5ξ)-β-D-lyxo-hexopyranosiduronique de 4-hydroxy-2,6-diisopropylphényle [French] [ACD/IUPAC Name]
β-D-lyxo-Hexopyranosiduronic acid, 4-hydroxy-2,6-bis(1-methylethyl)phenyl, (5ξ)- [ACD/Index Name]
114991-25-2 [RN]
4-Hydroxy Propofol 1-O-?-D-Glucuronide
4-Hydroxy Propofol 1-O-β-D-Glucuronide

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

Density: 1.4±0.1 g/cm3
Boiling Point: 641.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 99.5±3.0 kJ/mol
Flash Point: 229.6±25.0 °C
Index of Refraction: 1.601
Molar Refractivity: 92.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 1.02
ACD/LogD (pH 5.5): -2.17
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 137 Å2
Polarizability: 36.5±0.5 10-24cm3
Surface Tension: 66.1±3.0 dyne/cm
Molar Volume: 268.8±3.0 cm3

Click to predict properties on the Chemicalize site


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