ChemSpider 2D Image | 3-{2-[(2S,4R,8R)-2-Ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]hexanoyl}-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)benzaldehyde | C26H38O9

3-{2-[(2S,4R,8R)-2-Ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]hexanoyl}-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)benzaldehyde

  • Molecular FormulaC26H38O9
  • Average mass494.574 Da
  • Monoisotopic mass494.251587 Da
  • ChemSpider ID78445227

  • defined stereocentres - 3 of 7 defined stereocentres

More details:

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

3-{2-[(2S,4R,8R)-2-Ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]hexanoyl}-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)benzaldehyd [German] [ACD/IUPAC Name]
3-{2-[(2S,4R,8R)-2-Ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]hexanoyl}-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)benzaldehyde [ACD/IUPAC Name]
3-{2-[(2S,4R,8R)-2-Éthyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]hexanoyl}-2,6-dihydroxy-5-(1-méthoxy-2-méthylpropyl)benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[2-[(2S,4R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-1-oxohexyl]-2,6-dihydroxy-5-(1-methoxy-2-methylpropyl)- [ACD/Index Name]
Luminacin E3

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

Density: 1.3±0.1 g/cm3
Boiling Point: 646.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.3±3.0 kJ/mol
Flash Point: 210.5±25.0 °C
Index of Refraction: 1.577
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 9
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.95
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 741.83
ACD/KOC (pH 5.5): 3162.98
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 5.19
ACD/KOC (pH 7.4): 22.11
Polar Surface Area: 146 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 59.7±5.0 dyne/cm
Molar Volume: 382.9±5.0 cm3

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