ChemSpider 2D Image | 3-({2,6-Dideoxy-3,4-O-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide | C38H50O9

3-({2,6-Dideoxy-3,4-O-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide

  • Molecular FormulaC38H50O9
  • Average mass650.798 Da
  • Monoisotopic mass650.345459 Da
  • ChemSpider ID186862

More details:

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

3-({2,6-Dideoxy-3,4-O-[1-(4-methylphenyl)ethylidene]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolide [ACD/IUPAC Name]
3-({2,6-Didesoxy-3,4-O-[1-(4-methylphenyl)ethyliden]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-enolid [German] [ACD/IUPAC Name]
3-({2,6-Didésoxy-3,4-O-[1-(4-méthylphényl)éthylidène]hexopyranosyl}oxy)-5,14-dihydroxy-19-oxocard-20(22)-énolide [French] [ACD/IUPAC Name]
Card-20(22)-enolide, 3-[[2,6-dideoxy-3,4-O-[1-(4-methylphenyl)ethylidene]hexopyranosyl]oxy]-5,14-dihydroxy-19-oxo- [ACD/Index Name]
35811-09-7 [RN]
4-Methylacetophenonhelveticosid [German]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 785.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 119.8±3.0 kJ/mol
Flash Point: 242.0±26.4 °C
Index of Refraction: 1.612
Molar Refractivity: 172.4±0.4 cm3
#H bond acceptors: 9
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.23
ACD/BCF (pH 5.5): 960.60
ACD/KOC (pH 5.5): 4747.93
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 960.60
ACD/KOC (pH 7.4): 4747.93
Polar Surface Area: 121 Å2
Polarizability: 68.4±0.5 10-24cm3
Surface Tension: 59.5±5.0 dyne/cm
Molar Volume: 495.7±5.0 cm3

Click to predict properties on the Chemicalize site


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