ChemSpider 2D Image | Madecassol | C48H78O19

Madecassol

  • Molecular FormulaC48H78O19
  • Average mass959.122 Da
  • Monoisotopic mass958.513733 Da
  • ChemSpider ID17340595

  • defined stereocentres - 25 of 27 defined stereocentres

More details:

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

16830-15-2 [RN]
240-851-7 [EINECS]
6-Deoxy-β-D-gulopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,18ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [ACD/IUPAC Name]
6-Desoxy-β-D-gulopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,18ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]-β-D-glucopyranose [German] [ACD/IUPAC Name]
6-Désoxy-β-D-gulopyranosyl-(1->4)-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,18ξ)-2,3,23-trihydroxy-28-oxours-12-én-28-yl]-β-D-glucopyranose [French] [ACD/IUPAC Name]
Asiaticoside
Madecassol
MFCD06642601 [MDL number]
β-D-Glucopyranose, O-6-deoxy-β-D-gulopyranosyl-(1->4)-O-β-D-glucopyranosyl-(1->6)-1-O-[(2α,3β,5ξ,18ξ)-2,3,23-trihydroxy-28-oxours-12-en-28-yl]- [ACD/Index Name]

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

43191_FLUKA [DBID]

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


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