ChemSpider 2D Image | 3-Methoxy-4-hydroxyphenylglycol glucuronide | C15H20O10

3-Methoxy-4-hydroxyphenylglycol glucuronide

  • Molecular FormulaC15H20O10
  • Average mass360.313 Da
  • Monoisotopic mass360.105652 Da
  • ChemSpider ID17215958

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

3-Methoxy-4-hydroxyphenylglycol glucuronide
4-(1,2-Dihydroxyethyl)-2-methoxyphenyl β-D-glucopyranosiduronic acid [ACD/IUPAC Name]
4-(1,2-Dihydroxyethyl)-2-methoxyphenyl-β-D-glucopyranosiduronsäure [German] [ACD/IUPAC Name]
52002-41-2 [RN]
Acide β-D-glucopyranosiduronique de 4-(1,2-dihydroxyéthyl)-2-méthoxyphényle [French] [ACD/IUPAC Name]
β-D-Glucopyranosiduronic acid, 4-(1,2-dihydroxyethyl)-2-methoxyphenyl [ACD/Index Name]
Mhpg glucuronide
(2S,3S,4S,5R,6S)-6-[4-(1,2-dihydroxyethyl)-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 697.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.2±3.0 kJ/mol
Flash Point: 257.6±25.0 °C
Index of Refraction: 1.649
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: -3.45
ACD/LogD (pH 5.5): -5.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 90.6±3.0 dyne/cm
Molar Volume: 222.8±3.0 cm3

Click to predict properties on the Chemicalize site


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