ChemSpider 2D Image | 2-(Carboxymethyl)-5-hydroxy-4-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-methoxyphenyl hexopyranosiduronic acid | C20H26O12

2-(Carboxymethyl)-5-hydroxy-4-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-methoxyphenyl hexopyranosiduronic acid

  • Molecular FormulaC20H26O12
  • Average mass458.413 Da
  • Monoisotopic mass458.142426 Da
  • ChemSpider ID74886513

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(Carboxymethyl)-5-hydroxy-4-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-methoxyphenyl hexopyranosiduronic acid [ACD/IUPAC Name]
2-(Carboxymethyl)-5-hydroxy-4-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-3-methoxyphenylhexopyranosiduronsäure [German] [ACD/IUPAC Name]
Acide hexopyranosiduronique de 2-(carboxyméthyl)-5-hydroxy-4-[(2E)-4-hydroxy-3-méthyl-2-butén-1-yl]-3-méthoxyphényle [French] [ACD/IUPAC Name]
Benzeneacetic acid, 6-(hexopyranuronosyloxy)-4-hydroxy-3-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]-2-methoxy- [ACD/Index Name]

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: 808.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.2±3.0 kJ/mol
Flash Point: 281.6±27.8 °C
Index of Refraction: 1.645
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -1.51
ACD/LogD (pH 5.5): -5.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 203 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 85.5±3.0 dyne/cm
Molar Volume: 293.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement