ChemSpider 2D Image | 5-(beta-D-threo-Hexopyranosyloxy)-4-[3-(4-hydroxyphenyl)propanoyl]-1,3-phenylene diacetate | C25H28O12

5-(β-D-threo-Hexopyranosyloxy)-4-[3-(4-hydroxyphenyl)propanoyl]-1,3-phenylene diacetate

  • Molecular FormulaC25H28O12
  • Average mass520.483 Da
  • Monoisotopic mass520.158081 Da
  • ChemSpider ID24846094

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

1-Propanone, 1-[2,4-bis(acetyloxy)-6-(β-D-threo-hexopyranosyloxy)phenyl]-3-(4-hydroxyphenyl)- [ACD/Index Name]
5-(β-D-threo-Hexopyranosyloxy)-4-[3-(4-hydroxyphenyl)propanoyl]-1,3-phenylen-diacetat [German] [ACD/IUPAC Name]
5-(β-D-threo-Hexopyranosyloxy)-4-[3-(4-hydroxyphenyl)propanoyl]-1,3-phenylene diacetate [ACD/IUPAC Name]
Diacétate de 5-(β-D-thréo-hexopyranosyloxy)-4-[3-(4-hydroxyphényl)propanoyl]-1,3-phénylène [French] [ACD/IUPAC Name]
zosterin

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

Density: 1.5±0.1 g/cm3
Boiling Point: 803.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 270.7±27.8 °C
Index of Refraction: 1.617
Molar Refractivity: 125.7±0.3 cm3
#H bond acceptors: 12
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -1.20
ACD/LogD (pH 5.5): -0.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.98
ACD/LogD (pH 7.4): -0.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.94
Polar Surface Area: 189 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 63.3±3.0 dyne/cm
Molar Volume: 358.9±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement