Found 1 result

Search term: VXGYLHHZNVRJQJ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Ericifolione | C30H44O6

Ericifolione

  • Molecular FormulaC30H44O6
  • Average mass500.667 Da
  • Monoisotopic mass500.313782 Da
  • ChemSpider ID8990559

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2R,3S,4S)-2-(2-Hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-4-isobutyl-3-isopropyl-6,6,8,8-tetramethyl-4,8-dihydro-2H-chromen-5,7(3H,6H)-dion [German] [ACD/IUPAC Name]
(2R,3S,4S)-2-(2-Hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-4-isobutyl-3-isopropyl-6,6,8,8-tetramethyl-4,8-dihydro-2H-chromene-5,7(3H,6H)-dione [ACD/IUPAC Name]
(2R,3S,4S)-2-(2-Hydroxy-3,3,5,5-tétraméthyl-4,6-dioxo-1-cyclohexén-1-yl)-4-isobutyl-3-isopropyl-6,6,8,8-tétraméthyl-4,8-dihydro-2H-chromène-5,7(3H,6H)-dione [French] [ACD/IUPAC Name]
2H-1-Benzopyran-5,7(3H,6H)-dione, 4,8-dihydro-2-(2-hydroxy-3,3,5,5-tetramethyl-4,6-dioxo-1-cyclohexen-1-yl)-6,6,8,8-tetramethyl-3-(1-methylethyl)-4-(2-methylpropyl)-, (2R,3S,4S)- [ACD/Index Name]
Ericifolione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL516926/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 597.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 102.1±6.0 kJ/mol
Flash Point: 185.0±23.6 °C
Index of Refraction: 1.531
Molar Refractivity: 137.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.11
ACD/LogD (pH 5.5): 4.81
ACD/BCF (pH 5.5): 1496.76
ACD/KOC (pH 5.5): 3302.07
ACD/LogD (pH 7.4): 3.05
ACD/BCF (pH 7.4): 25.82
ACD/KOC (pH 7.4): 56.96
Polar Surface Area: 98 Å2
Polarizability: 54.5±0.5 10-24cm3
Surface Tension: 42.9±5.0 dyne/cm
Molar Volume: 444.3±5.0 cm3

Click to predict properties on the Chemicalize site


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