ChemSpider 2D Image | sophodibenzoside A | C26H30O15

sophodibenzoside A

  • Molecular FormulaC26H30O15
  • Average mass582.507 Da
  • Monoisotopic mass582.158447 Da
  • ChemSpider ID30830017

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

1,2-Ethanedione, 1-(3-hydroxy-4-methoxyphenyl)-2-[2-hydroxy-4-[(6-O-β-D-xylopyranosyl-β-D-glucopyranosyl)oxy]phenyl]- [ACD/Index Name]
3-Hydroxy-4-[(3-hydroxy-4-methoxyphenyl)(oxo)acetyl]phenyl 6-O-β-D-xylopyranosyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-4-[(3-hydroxy-4-methoxyphenyl)(oxo)acetyl]phenyl-6-O-β-D-xylopyranosyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
6-O-β-D-Xylopyranosyl-β-D-glucopyranoside de 3-hydroxy-4-[2-(3-hydroxy-4-méthoxyphényl)-2-oxoacétyl]phényle [French] [ACD/IUPAC Name]
sophodibenzoside A

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

Density: 1.7±0.1 g/cm3
Boiling Point: 932.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 142.1±3.0 kJ/mol
Flash Point: 310.3±27.8 °C
Index of Refraction: 1.696
Molar Refractivity: 133.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 7.08
ACD/KOC (pH 5.5): 120.05
ACD/LogD (pH 7.4): -0.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.42
Polar Surface Area: 242 Å2
Polarizability: 52.8±0.5 10-24cm3
Surface Tension: 102.8±5.0 dyne/cm
Molar Volume: 346.1±5.0 cm3

Click to predict properties on the Chemicalize site


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