ChemSpider 2D Image | 2-Acetyl-3-hydroxy-5-methoxyphenyl 6-O-hexopyranosylhexopyranoside | C21H30O14

2-Acetyl-3-hydroxy-5-methoxyphenyl 6-O-hexopyranosylhexopyranoside

  • Molecular FormulaC21H30O14
  • Average mass506.454 Da
  • Monoisotopic mass506.163544 Da
  • ChemSpider ID3035968

More details:

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

2-Acetyl-3-hydroxy-5-methoxyphenyl 6-O-hexopyranosylhexopyranoside [ACD/IUPAC Name]
2-Acetyl-3-hydroxy-5-methoxyphenyl-6-O-hexopyranosylhexopyranosid [German] [ACD/IUPAC Name]
6-O-Hexopyranosylhexopyranoside de 2-acétyl-3-hydroxy-5-méthoxyphényle [French] [ACD/IUPAC Name]
Ethanone, 1-[2-[(6-O-hexopyranosylhexopyranosyl)oxy]-6-hydroxy-4-methoxyphenyl]- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 833.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.0±3.0 kJ/mol
Flash Point: 285.9±27.8 °C
Index of Refraction: 1.654
Molar Refractivity: 113.0±0.4 cm3
#H bond acceptors: 14
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.42
ACD/LogD (pH 5.5): -1.78
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.58
ACD/LogD (pH 7.4): -1.78
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.54
Polar Surface Area: 225 Å2
Polarizability: 44.8±0.5 10-24cm3
Surface Tension: 95.2±5.0 dyne/cm
Molar Volume: 308.2±5.0 cm3

Click to predict properties on the Chemicalize site


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