ChemSpider 2D Image | 2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 6-deoxy-alpha-L-erythro-hexopyranoside | C21H20O12

2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl 6-deoxy-α-L-erythro-hexopyranoside

  • Molecular FormulaC21H20O12
  • Average mass464.376 Da
  • Monoisotopic mass464.095490 Da
  • ChemSpider ID24845140
  • defined stereocentres - 3 of 5 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 6-deoxy-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
2,3-Dihydroxy-5-(3,5,7-trihydroxy-4-oxo-4H-chromen-2-yl)phenyl-6-desoxy-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-[3-[(6-deoxy-α-L-erythro-hexopyranosyl)oxy]-4,5-dihydroxyphenyl]-3,5,7-trihydroxy- [ACD/Index Name]
6-Désoxy-α-L-érythro-hexopyranoside 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

Density: 1.8±0.1 g/cm3
Boiling Point: 834.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.1±3.0 kJ/mol
Flash Point: 294.3±27.8 °C
Index of Refraction: 1.779
Molar Refractivity: 107.5±0.3 cm3
#H bond acceptors: 12
#H bond donors: 8
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 2
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 0.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.88
ACD/LogD (pH 7.4): -1.01
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.54
Polar Surface Area: 207 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 115.4±3.0 dyne/cm
Molar Volume: 256.5±3.0 cm3

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