ChemSpider 2D Image | 4-(4-Oxo-4H-chromen-3-yl)phenyl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C29H28O12

4-(4-Oxo-4H-chromen-3-yl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC29H28O12
  • Average mass568.525 Da
  • Monoisotopic mass568.158081 Da
  • ChemSpider ID9310658

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

2,3,4,6-Tétra-O-acétyl-β-D-glucopyranoside de 4-(4-oxo-4H-chromén-3-yl)phényle [French] [ACD/IUPAC Name]
4-(4-Oxo-4H-chromen-3-yl)phenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
4-(4-Oxo-4H-chromen-3-yl)phenyl-2,3,4,6-tetra-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[4-[(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)oxy]phenyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 652.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.1±3.0 kJ/mol
Flash Point: 274.3±31.5 °C
Index of Refraction: 1.590
Molar Refractivity: 138.4±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 277.39
ACD/KOC (pH 5.5): 1951.52
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.39
ACD/KOC (pH 7.4): 1951.52
Polar Surface Area: 150 Å2
Polarizability: 54.9±0.5 10-24cm3
Surface Tension: 59.1±5.0 dyne/cm
Molar Volume: 410.4±5.0 cm3

Click to predict properties on the Chemicalize site


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