ChemSpider 2D Image | 2-(4-Methoxyphenyl)-4-oxo-4H-chromen-3-yl 2,3,4,6-tetra-O-acetyl-beta-D-glucopyranoside | C30H30O13

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

  • Molecular FormulaC30H30O13
  • Average mass598.551 Da
  • Monoisotopic mass598.168640 Da
  • ChemSpider ID90636135
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

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

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 680.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 284.1±31.5 °C
Index of Refraction: 1.584
Molar Refractivity: 144.6±0.4 cm3
#H bond acceptors: 13
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 4.62
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 525.02
ACD/KOC (pH 5.5): 3081.07
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 525.02
ACD/KOC (pH 7.4): 3081.07
Polar Surface Area: 159 Å2
Polarizability: 57.3±0.5 10-24cm3
Surface Tension: 58.4±5.0 dyne/cm
Molar Volume: 432.2±5.0 cm3

Click to predict properties on the Chemicalize site






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