ChemSpider 2D Image | 5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-acetyl-beta-D-allopyranoside | C24H26O12

5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-acetyl-β-D-allopyranoside

  • Molecular FormulaC24H26O12
  • Average mass506.456 Da
  • Monoisotopic mass506.142426 Da
  • ChemSpider ID4474623

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

4H-1-Benzopyran-4-one, 7-[(6-O-acetyl-β-D-allopyranosyl)oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)- [ACD/Index Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-acetyl-β-D-allopyranoside [ACD/IUPAC Name]
5-Hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl-6-O-acetyl-β-D-allopyranosid [German] [ACD/IUPAC Name]
6-O-Acétyl-β-D-allopyranoside de 5-hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-oxo-3,4-dihydro-2H-chromén-7-yle [French] [ACD/IUPAC Name]
Viscumneoside VI

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

Density: 1.5±0.1 g/cm3
Boiling Point: 791.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.8±3.0 kJ/mol
Flash Point: 270.5±26.4 °C
Index of Refraction: 1.637
Molar Refractivity: 120.3±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 3
ACD/LogP: 2.13
ACD/LogD (pH 5.5): 1.42
ACD/BCF (pH 5.5): 7.01
ACD/KOC (pH 5.5): 139.43
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 2.52
ACD/KOC (pH 7.4): 50.12
Polar Surface Area: 181 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 71.9±3.0 dyne/cm
Molar Volume: 334.9±3.0 cm3

Click to predict properties on the Chemicalize site


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