ChemSpider 2D Image | (4aR,9R,9aR)-6,8-Dihydroxy-9-isobutyl-2-isopropyl-4a-methyl-2,4a,9,9a-tetrahydro-1H-xanthene-5,7-dicarbaldehyde | C23H30O5

(4aR,9R,9aR)-6,8-Dihydroxy-9-isobutyl-2-isopropyl-4a-methyl-2,4a,9,9a-tetrahydro-1H-xanthene-5,7-dicarbaldehyde

  • Molecular FormulaC23H30O5
  • Average mass386.481 Da
  • Monoisotopic mass386.209320 Da
  • ChemSpider ID35518542

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(4aR,9R,9aR)-6,8-Dihydroxy-9-isobutyl-2-isopropyl-4a-methyl-2,4a,9,9a-tetrahydro-1H-xanthen-5,7-dicarbaldehyd [German] [ACD/IUPAC Name]
(4aR,9R,9aR)-6,8-Dihydroxy-9-isobutyl-2-isopropyl-4a-methyl-2,4a,9,9a-tetrahydro-1H-xanthene-5,7-dicarbaldehyde [ACD/IUPAC Name]
(4aR,9R,9aR)-6,8-Dihydroxy-9-isobutyl-2-isopropyl-4a-méthyl-2,4a,9,9a-tétrahydro-1H-xanthène-5,7-dicarbaldéhyde [French] [ACD/IUPAC Name]
1H-Xanthene-5,7-dicarboxaldehyde, 2,4a,9,9a-tetrahydro-6,8-dihydroxy-4a-methyl-2-(1-methylethyl)-9-(2-methylpropyl)-, (4aR,9R,9aR)- [ACD/Index Name]
Euglobal-Ia1

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

Density: 1.2±0.1 g/cm3
Boiling Point: 420.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 70.0±3.0 kJ/mol
Flash Point: 131.5±22.2 °C
Index of Refraction: 1.583
Molar Refractivity: 110.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 8.53
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 91702.34
ACD/KOC (pH 5.5): 100708.59
ACD/LogD (pH 7.4): 4.85
ACD/BCF (pH 7.4): 758.42
ACD/KOC (pH 7.4): 832.91
Polar Surface Area: 84 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 46.4±3.0 dyne/cm
Molar Volume: 330.6±3.0 cm3

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