ChemSpider 2D Image | 3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenyl 2-O-acetyl-4-O-benzoyl-beta-D-glucopyranoside | C28H26O12

3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenyl 2-O-acetyl-4-O-benzoyl-β-D-glucopyranoside

  • Molecular FormulaC28H26O12
  • Average mass554.499 Da
  • Monoisotopic mass554.142456 Da
  • ChemSpider ID22913261

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2-O-Acétyl-4-O-benzoyl-β-D-glucopyranoside de 3,5-dihydroxy-2-(3-hydroxybenzoyl)phényle [French] [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenyl 2-O-acetyl-4-O-benzoyl-β-D-glucopyranoside [ACD/IUPAC Name]
3,5-Dihydroxy-2-(3-hydroxybenzoyl)phenyl-2-O-acetyl-4-O-benzoyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
Methanone, [2-[(2-O-acetyl-4-O-benzoyl-β-D-glucopyranosyl)oxy]-4,6-dihydroxyphenyl](3-hydroxyphenyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 845.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 128.8±3.0 kJ/mol
Flash Point: 282.0±27.8 °C
Index of Refraction: 1.686
Molar Refractivity: 135.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 3.38
ACD/BCF (pH 5.5): 215.86
ACD/KOC (pH 5.5): 1605.49
ACD/LogD (pH 7.4): 2.62
ACD/BCF (pH 7.4): 37.10
ACD/KOC (pH 7.4): 275.93
Polar Surface Area: 189 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 87.4±5.0 dyne/cm
Molar Volume: 355.6±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement