ChemSpider 2D Image | 3-[(6-Deoxy-alpha-L-erythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-alpha-L-erythro-hexopyranoside | C27H30O15

3-[(6-Deoxy-α-L-erythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-erythro-hexopyranoside

  • Molecular FormulaC27H30O15
  • Average mass594.518 Da
  • Monoisotopic mass594.158447 Da
  • ChemSpider ID24844920

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

3-[(6-Deoxy-α-L-erythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl 6-deoxy-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
3-[(6-Desoxy-α-L-erythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-yl-6-desoxy-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3,7-bis[(6-deoxy-α-L-erythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy- [ACD/Index Name]
6-Désoxy-α-L-érythro-hexopyranoside de 3-[(6-désoxy-α-L-érythro-hexopyranosyl)oxy]-2-(3,4-dihydroxyphényl)-5-hydroxy-4-oxo-4H-chromén-7-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: 949.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 144.8±3.0 kJ/mol
Flash Point: 315.5±27.8 °C
Index of Refraction: 1.745
Molar Refractivity: 136.6±0.4 cm3
#H bond acceptors: 15
#H bond donors: 9
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 3
ACD/LogP: 1.46
ACD/LogD (pH 5.5): -0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 11.55
ACD/LogD (pH 7.4): -1.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 245 Å2
Polarizability: 54.2±0.5 10-24cm3
Surface Tension: 113.9±5.0 dyne/cm
Molar Volume: 337.0±5.0 cm3

Click to predict properties on the Chemicalize site


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