ChemSpider 2D Image | 6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(2,3,6,23-tetrahydroxy-28-oxours-12-en-28-yl)hexopyranose | C48H78O20

6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(2,3,6,23-tetrahydroxy-28-oxours-12-en-28-yl)hexopyranose

  • Molecular FormulaC48H78O20
  • Average mass975.121 Da
  • Monoisotopic mass974.508667 Da
  • ChemSpider ID142124

More details:

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

6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(2,3,6,23-tetrahydroxy-28-oxours-12-en-28-yl)hexopyranose [ACD/IUPAC Name]
6-Desoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(2,3,6,23-tetrahydroxy-28-oxours-12-en-28-yl)hexopyranose [German] [ACD/IUPAC Name]
6-Désoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-(2,3,6,23-tétrahydroxy-28-oxours-12-én-28-yl)hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, O--6-deoxyhexopyranosyl-(1->4)-O-hexopyranosyl-(1->6)-1-O-(2,3,6,23-tetrahydroxy-28-oxours-12-en-28-yl)- [ACD/Index Name]
252-076-1 [EINECS]
34540-22-2 [RN]
madecasoside
Madecassoside

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

Density: 1.5±0.1 g/cm3
Boiling Point: 1043.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 172.8±6.0 kJ/mol
Flash Point: 295.8±27.8 °C
Index of Refraction: 1.637
Molar Refractivity: 237.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 13
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 1.88
ACD/LogD (pH 5.5): 1.15
ACD/BCF (pH 5.5): 4.43
ACD/KOC (pH 5.5): 100.92
ACD/LogD (pH 7.4): 1.15
ACD/BCF (pH 7.4): 4.43
ACD/KOC (pH 7.4): 100.92
Polar Surface Area: 335 Å2
Polarizability: 94.2±0.5 10-24cm3
Surface Tension: 80.8±5.0 dyne/cm
Molar Volume: 661.9±5.0 cm3

Click to predict properties on the Chemicalize site


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