ChemSpider 2D Image | Operculinic acid C | C40H72O19

Operculinic acid C

  • Molecular FormulaC40H72O19
  • Average mass856.988 Da
  • Monoisotopic mass856.466797 Da
  • ChemSpider ID8923472

  • defined stereocentres - 21 of 21 defined stereocentres

More details:

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

(11S)-11-{[6-Deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->4)-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl]oxy}hexadecanoic acid [ACD/IUPAC Name]
(11S)-11-{[6-Desoxy-α-L-mannopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->4)-6-desoxy-α-L-mannopyranosyl-(1->2)-6-desoxy-β-D-galactopyranosyl]oxy}hexadecansäure [German] [ACD/IUPAC Name]
Acide (11S)-11-{[6-désoxy-α-L-mannopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->4)-6-désoxy-α-L-mannopyranosyl-(1->2)-6-désoxy-β-D-galactopyranosyl]oxy}hexadécanoïque [French] [ACD/IUPAC Name]
Hexadecanoic acid, 11-[[O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->4)-O-6-deoxy-α-L-mannopyranosyl-(1->2)-6-deoxy-β-D-galactopyranosyl]oxy]-, (11S)- [ACD/Index Name]
Operculinic acid C

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

Density: 1.4±0.0 g/cm3
Boiling Point: 977.7±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 161.5±0.0 kJ/mol
Flash Point: 284.5±0.0 °C
Index of Refraction: 1.571
Molar Refractivity: 208.0±0.0 cm3
#H bond acceptors: 19
#H bond donors: 10
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 4
ACD/LogP: 5.20
ACD/LogD (pH 5.5): 4.41
ACD/BCF (pH 5.5): 848.94
ACD/KOC (pH 5.5): 2579.32
ACD/LogD (pH 7.4): 2.61
ACD/BCF (pH 7.4): 13.63
ACD/KOC (pH 7.4): 41.41
Polar Surface Area: 293 Å2
Polarizability: 82.5±0.0 10-24cm3
Surface Tension: 66.7±0.0 dyne/cm
Molar Volume: 633.3±0.0 cm3

Click to predict properties on the Chemicalize site


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