ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(3,4-di-O-acetyl-6-deoxy-alpha-L-erythro-hexopyranosyl)-beta-D-threo-hexopyranoside | C31H34O18

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(3,4-di-O-acetyl-6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside

  • Molecular FormulaC31H34O18
  • Average mass694.591 Da
  • Monoisotopic mass694.174500 Da
  • ChemSpider ID24844983

  • defined stereocentres - 6 of 10 defined stereocentres

More details:

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

2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-(3,4-di-O-acetyl-6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-6-O-(3,4-di-O-acetyl-6-desoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[6-O-(3,4-di-O-acetyl-6-deoxy-α-L-erythro-hexopyranosyl)-β-D-threo-hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index Name]
6-O-(3,4-Di-O-acétyl-6-désoxy-α-L-érythro-hexopyranosyl)-β-D-thréo-hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-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: 1.7±0.1 g/cm3
Boiling Point: 962.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 146.9±3.0 kJ/mol
Flash Point: 308.1±27.8 °C
Index of Refraction: 1.695
Molar Refractivity: 157.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 0.69
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 49.60
ACD/LogD (pH 7.4): -0.83
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.49
Polar Surface Area: 278 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 100.4±5.0 dyne/cm
Molar Volume: 409.1±5.0 cm3

Click to predict properties on the Chemicalize site


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