ChemSpider 2D Image | 6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-[(2alpha,3beta,5xi,9xi,10alpha,18alpha)-2,3,24-trihydroxy-28-oxours-12-en-28-yl]hexopyranose | C48H78O19

6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,9ξ,10α,18α)-2,3,24-trihydroxy-28-oxours-12-en-28-yl]hexopyranose

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID24540977

  • defined stereocentres - 10 of 27 defined stereocentres

More details:

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

6-Deoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,9ξ,10α,18α)-2,3,24-trihydroxy-28-oxours-12-en-28-yl]hexopyranose [ACD/IUPAC Name]
6-Desoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,9ξ,10α,18α)-2,3,24-trihydroxy-28-oxours-12-en-28-yl]hexopyranose [German] [ACD/IUPAC Name]
6-Désoxyhexopyranosyl-(1->4)hexopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,9ξ,10α,18α)-2,3,24-trihydroxy-28-oxours-12-én-28-yl]hexopyranose [French] [ACD/IUPAC Name]
Hexopyranose, O--6-deoxyhexopyranosyl-(1->4)-O-hexopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,9ξ,10α,18α)-2,3,24-trihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]
Asiaticoside

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

Density: 1.4±0.1 g/cm3
Boiling Point: 1017.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 168.3±6.0 kJ/mol
Flash Point: 288.2±27.8 °C
Index of Refraction: 1.630
Molar Refractivity: 236.2±0.4 cm3
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.57
ACD/KOC (pH 5.5): 420.95
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.57
ACD/KOC (pH 7.4): 420.94
Polar Surface Area: 315 Å2
Polarizability: 93.6±0.5 10-24cm3
Surface Tension: 77.3±5.0 dyne/cm
Molar Volume: 664.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement