ChemSpider 2D Image | 3-{2-[(2S,4R,8R)-4,8-Dihydroxy-2-propyl-1,5-dioxaspiro[2.5]oct-6-yl]pentanoyl}-2,6-dihydroxy-5-isobutylbenzaldehyde | C25H36O8

3-{2-[(2S,4R,8R)-4,8-Dihydroxy-2-propyl-1,5-dioxaspiro[2.5]oct-6-yl]pentanoyl}-2,6-dihydroxy-5-isobutylbenzaldehyde

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID78443737

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

3-{2-[(2S,4R,8R)-4,8-Dihydroxy-2-propyl-1,5-dioxaspiro[2.5]oct-6-yl]pentanoyl}-2,6-dihydroxy-5-isobutylbenzaldehyd [German] [ACD/IUPAC Name]
3-{2-[(2S,4R,8R)-4,8-Dihydroxy-2-propyl-1,5-dioxaspiro[2.5]oct-6-yl]pentanoyl}-2,6-dihydroxy-5-isobutylbenzaldehyde [ACD/IUPAC Name]
3-{2-[(2S,4R,8R)-4,8-Dihydroxy-2-propyl-1,5-dioxaspiro[2.5]oct-6-yl]pentanoyl}-2,6-dihydroxy-5-isobutylbenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[2-[(2S,4R,8R)-4,8-dihydroxy-2-propyl-1,5-dioxaspiro[2.5]oct-6-yl]-1-oxopentyl]-2,6-dihydroxy-5-(2-methylpropyl)- [ACD/Index Name]
Luminacin F

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

Density: 1.3±0.1 g/cm3
Boiling Point: 654.9±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: 217.4±25.0 °C
Index of Refraction: 1.584
Molar Refractivity: 120.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.86
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 2903.76
ACD/KOC (pH 5.5): 8715.65
ACD/LogD (pH 7.4): 2.96
ACD/BCF (pH 7.4): 29.82
ACD/KOC (pH 7.4): 89.51
Polar Surface Area: 137 Å2
Polarizability: 47.8±0.5 10-24cm3
Surface Tension: 60.8±5.0 dyne/cm
Molar Volume: 360.2±5.0 cm3

Click to predict properties on the Chemicalize site


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