ChemSpider 2D Image | 2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl beta-D-glycero-pentopyranoside | C20H18O12

2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glycero-pentopyranoside

  • Molecular FormulaC20H18O12
  • Average mass450.350 Da
  • Monoisotopic mass450.079834 Da
  • ChemSpider ID24845127

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl β-D-glycero-pentopyranoside [ACD/IUPAC Name]
2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl-β-D-glycero-pentopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3,4-dihydroxy-5-(β-D-glycero-pentopyranosyloxy)phenyl]-3,5,7-trihydroxy- [ACD/Index Name]
β-D-glycéro-Pentopyranoside de 2,3-dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromén-2-yl)phényle [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 849.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 129.3±3.0 kJ/mol
Flash Point: 302.4±27.8 °C
Index of Refraction: 1.818
Molar Refractivity: 102.8±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 0.55
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.54
ACD/LogD (pH 7.4): -1.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.05
Polar Surface Area: 207 Å2
Polarizability: 40.8±0.5 10-24cm3
Surface Tension: 132.7±3.0 dyne/cm
Molar Volume: 236.5±3.0 cm3

Click to predict properties on the Chemicalize site


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