ChemSpider 2D Image | 2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-D-glycero-pentopyranosyl-D-erythro-hexopyranoside | C26H28O16

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-D-glycero-pentopyranosyl-D-erythro-hexopyranoside

  • Molecular FormulaC26H28O16
  • Average mass596.491 Da
  • Monoisotopic mass596.137756 Da
  • ChemSpider ID28283948

  • defined stereocentres - 3 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl 6-O-D-glycero-pentopyranosyl-D-erythro-hexopyranoside [ACD/IUPAC Name]
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-4-oxo-4H-chromen-7-yl-6-O-D-glycero-pentopyranosyl-D-erythro-hexopyranosid [German] [ACD/IUPAC Name]
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-[(6-O-D-glycero-pentopyranosyl-D-erythro-hexopyranosyl)oxy]- [ACD/Index Name]
6-O-D-glycéro-Pentopyranosyl-D-érythro-hexopyranoside de 2-(3,4-dihydroxyphényl)-3,5-dihydroxy-4-oxo-4H-chromén-7-yle [French] [ACD/IUPAC Name]
gigantoside A

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

Density: 1.9±0.1 g/cm3
Boiling Point: 983.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.1±3.0 kJ/mol
Flash Point: 328.0±27.8 °C
Index of Refraction: 1.783
Molar Refractivity: 133.6±0.4 cm3
#H bond acceptors: 16
#H bond donors: 10
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 0.79
ACD/LogD (pH 5.5): -0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 9.29
ACD/LogD (pH 7.4): -2.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 266 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 133.8±5.0 dyne/cm
Molar Volume: 317.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement