ChemSpider 2D Image | juspurpurin | C26H26O12

juspurpurin

  • Molecular FormulaC26H26O12
  • Average mass530.477 Da
  • Monoisotopic mass530.142456 Da
  • ChemSpider ID9224887

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{4-[Bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-2,5-dihydro-3-furanyl}methyl β-D-glucopyranoside [ACD/IUPAC Name]
{4-[Bis(1,3-benzodioxol-5-yl)methyl]-5-oxo-2,5-dihydro-3-furanyl}methyl-β-D-glucopyranosid [German] [ACD/IUPAC Name]
2(5H)-Furanone, 3-[bis(1,3-benzodioxol-5-yl)methyl]-4-[(β-D-glucopyranosyloxy)methyl]- [ACD/Index Name]
juspurpurin
β-D-Glucopyranoside de {4-[bis(1,3-benzodioxol-5-yl)méthyl]-5-oxo-2,5-dihydro-3-furanyl}méthyle [French] [ACD/IUPAC 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: 802.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.3±3.0 kJ/mol
Flash Point: 272.9±27.8 °C
Index of Refraction: 1.699
Molar Refractivity: 125.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 0.48
ACD/BCF (pH 5.5): 1.37
ACD/KOC (pH 5.5): 43.69
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.37
ACD/KOC (pH 7.4): 43.69
Polar Surface Area: 163 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 87.5±5.0 dyne/cm
Molar Volume: 326.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement