ChemSpider 2D Image | Illicidione C | C29H40O8

Illicidione C

  • Molecular FormulaC29H40O8
  • Average mass516.623 Da
  • Monoisotopic mass516.272339 Da
  • ChemSpider ID26334280

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2R,3aS,5S,2'R,3a'S,5'S)-7,7'-Methylenbis[5-allyl-3a-hydroxy-2-(2-hydroxy-2-propanyl)-3,3a,4,5-tetrahydro-1-benzofuran-6(2H)-on] [German] [ACD/IUPAC Name]
(2R,3aS,5S,2'R,3a'S,5'S)-7,7'-Methylenebis[5-allyl-3a-hydroxy-2-(2-hydroxy-2-propanyl)-3,3a,4,5-tetrahydro-1-benzofuran-6(2H)-one] [ACD/IUPAC Name]
(2R,3aS,5S,2'R,3a'S,5'S)-7,7'-Méthylènebis[5-allyl-3a-hydroxy-2-(2-hydroxy-2-propanyl)-3,3a,4,5-tétrahydro-1-benzofuran-6(2H)-one] [French] [ACD/IUPAC Name]
6(2H)-Benzofuranone, 7,7'-methylenebis[3,3a,4,5-tetrahydro-3a-hydroxy-2-(1-hydroxy-1-methylethyl)-5-(2-propen-1-yl)-, (2R,3aS,5S,2'R,3'aS,5'S)- [ACD/Index Name]
Illicidione C

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

Density: 1.3±0.1 g/cm3
Boiling Point: 693.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 116.1±6.0 kJ/mol
Flash Point: 224.0±25.0 °C
Index of Refraction: 1.591
Molar Refractivity: 136.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 1.61
ACD/LogD (pH 5.5): 2.27
ACD/BCF (pH 5.5): 31.12
ACD/KOC (pH 5.5): 407.66
ACD/LogD (pH 7.4): 2.27
ACD/BCF (pH 7.4): 31.12
ACD/KOC (pH 7.4): 407.66
Polar Surface Area: 134 Å2
Polarizability: 54.1±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 403.4±5.0 cm3

Click to predict properties on the Chemicalize site


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