ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 3-O-(6-O-acetyl-beta-D-threo-hexopyranosyl)-alpha-L-erythro-hexopyranoside | C29H32O18

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

  • Molecular FormulaC29H32O18
  • Average mass668.554 Da
  • Monoisotopic mass668.158875 Da
  • ChemSpider ID24844981

  • 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 3-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-α-L-erythro-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl-3-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-α-L-erythro-hexopyranosid [German] [ACD/IUPAC Name]
3-O-(6-O-Acétyl-β-D-thréo-hexopyranosyl)-α-L-érythro-hexopyranoside de 2-(3,4-dihydroxyphényl)-5,7-dihydroxy-4-oxo-4H-chromén-3-yle [French] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 3-[[3-O-(6-O-acetyl-β-D-threo-hexopyranosyl)-α-L-erythro-hexopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy- [ACD/Index 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: 1032.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 158.0±3.0 kJ/mol
Flash Point: 334.8±27.8 °C
Index of Refraction: 1.744
Molar Refractivity: 149.3±0.4 cm3
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 2.15
ACD/LogD (pH 5.5): 0.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.21
ACD/LogD (pH 7.4): -1.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 121.1±5.0 dyne/cm
Molar Volume: 368.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement