Found 3 results

Search term: IWXGRDWGOJXZGA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6S,7R,10E,14S,15Z)-16-(2,5-Dihydroxy-4-methylphenyl)-6,14-dihydroxy-2,6,10,14-tetramethyl-2,10,15-hexadecatrien-7-yl acetate | C29H44O6

(6S,7R,10E,14S,15Z)-16-(2,5-Dihydroxy-4-methylphenyl)-6,14-dihydroxy-2,6,10,14-tetramethyl-2,10,15-hexadecatrien-7-yl acetate

  • Molecular FormulaC29H44O6
  • Average mass488.656 Da
  • Monoisotopic mass488.313782 Da
  • ChemSpider ID23339249

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(6S,7R,10E,14S,15Z)-16-(2,5-Dihydroxy-4-methylphenyl)-6,14-dihydroxy-2,6,10,14-tetramethyl-2,10,15-hexadecatrien-7-yl acetate [ACD/IUPAC Name]
(6S,7R,10E,14S,15Z)-16-(2,5-Dihydroxy-4-methylphenyl)-6,14-dihydroxy-2,6,10,14-tetramethyl-2,10,15-hexadecatrien-7-yl-acetat [German] [ACD/IUPAC Name]
1,6,14-Hexadecatriene-3,10,11-triol, 1-(2,5-dihydroxy-4-methylphenyl)-3,7,11,15-tetramethyl-, 10-acetate, (1Z,3S,6E,10R,11S)- [ACD/Index Name]
Acétate de (6S,7R,10E,14S,15Z)-16-(2,5-dihydroxy-4-méthylphényl)-6,14-dihydroxy-2,6,10,14-tétraméthyl-2,10,15-hexadécatrién-7-yle [French] [ACD/IUPAC Name]
(6S,7R,10E,14S,15Z)-16-(2,5-dihydroxy-4-methylphenyl)-6,14-dihydroxy-2,6,10,14-tetramethylhexadeca-2,10,15-trien-7-yl acetate
chabrolohydroxybenzoquinone G
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465563/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 654.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.3±3.0 kJ/mol
Flash Point: 206.4±25.0 °C
Index of Refraction: 1.560
Molar Refractivity: 143.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24636.05
ACD/KOC (pH 5.5): 48425.10
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24617.63
ACD/KOC (pH 7.4): 48388.91
Polar Surface Area: 107 Å2
Polarizability: 56.8±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 443.0±3.0 cm3

Click to predict properties on the Chemicalize site


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