ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-beta-D-erythro-hexopyranoside | C24H24O14

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-erythro-hexopyranoside

  • Molecular FormulaC24H24O14
  • Average mass536.439 Da
  • Monoisotopic mass536.116577 Da
  • ChemSpider ID24845500

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl 6-O-acetyl-β-D-erythro-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-6-methoxy-4-oxo-4H-chromen-3-yl-6-O-acetyl-β-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[(6-O-acetyl-β-D-erythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-methoxy- [ACD/Index Name]
6-O-Acétyl-β-D-érythro-hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-6-méthoxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 882.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.3±3.0 kJ/mol
Flash Point: 300.6±27.8 °C
Index of Refraction: 1.727
Molar Refractivity: 121.9±0.4 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 1.69
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.21
ACD/KOC (pH 5.5): 56.54
ACD/LogD (pH 7.4): -0.74
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.65
Polar Surface Area: 222 Å2
Polarizability: 48.3±0.5 10-24cm3
Surface Tension: 108.8±5.0 dyne/cm
Molar Volume: 306.4±5.0 cm3

Click to predict properties on the Chemicalize site


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