ChemSpider 2D Image | 3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl 4,6-di-O-acetyl-beta-D-glucopyranoside | C26H30O11

3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl 4,6-di-O-acetyl-β-D-glucopyranoside

  • Molecular FormulaC26H30O11
  • Average mass518.510 Da
  • Monoisotopic mass518.178833 Da
  • ChemSpider ID8681497

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2-[(4,6-di-O-acetyl-β-D-glucopyranosyl)oxy]-6-hydroxyphenyl]-3-(4-methoxyphenyl)- [ACD/Index Name]
3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl 4,6-di-O-acetyl-β-D-glucopyranoside [ACD/IUPAC Name]
3-Hydroxy-2-[3-(4-methoxyphenyl)propanoyl]phenyl-4,6-di-O-acetyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
4,6-Di-O-acétyl-β-D-glucopyranoside de 3-hydroxy-2-[3-(4-méthoxyphényl)propanoyl]phényle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 690.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 106.3±3.0 kJ/mol
Flash Point: 228.2±25.0 °C
Index of Refraction: 1.600
Molar Refractivity: 127.8±0.4 cm3
#H bond acceptors: 11
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 2.83
ACD/BCF (pH 5.5): 83.13
ACD/KOC (pH 5.5): 820.79
ACD/LogD (pH 7.4): 2.54
ACD/BCF (pH 7.4): 42.34
ACD/KOC (pH 7.4): 418.04
Polar Surface Area: 158 Å2
Polarizability: 50.7±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 373.6±5.0 cm3

Click to predict properties on the Chemicalize site


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