ChemSpider 2D Image | 3-sec-Butyl-5-{(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methylbutanoyl}-2,6-dihydroxybenzaldehyde | C24H34O8

3-sec-Butyl-5-{(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methylbutanoyl}-2,6-dihydroxybenzaldehyde

  • Molecular FormulaC24H34O8
  • Average mass450.522 Da
  • Monoisotopic mass450.225372 Da
  • ChemSpider ID78436759

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

3-sec-Butyl-5-{(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methylbutanoyl}-2,6-dihydroxybenzaldehyd [German] [ACD/IUPAC Name]
3-sec-Butyl-5-{(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methylbutanoyl}-2,6-dihydroxybenzaldehyde [ACD/IUPAC Name]
3-sec-Butyl-5-{(2S)-2-[(2S,3S,4R,6R,8R)-2-éthyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-méthylbutanoyl}-2,6-dihydroxybenzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-[(2S)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methyl-1-oxobutyl]-2,6-dihydroxy-5-(1-methylpropyl)- [ACD/Index Name]
luminacin D

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

Density: 1.3±0.1 g/cm3
Boiling Point: 623.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 208.1±25.0 °C
Index of Refraction: 1.588
Molar Refractivity: 115.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.14
ACD/LogD (pH 5.5): 4.26
ACD/BCF (pH 5.5): 927.07
ACD/KOC (pH 5.5): 4099.52
ACD/LogD (pH 7.4): 2.51
ACD/BCF (pH 7.4): 16.43
ACD/KOC (pH 7.4): 72.65
Polar Surface Area: 137 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 61.1±5.0 dyne/cm
Molar Volume: 344.7±5.0 cm3

Click to predict properties on the Chemicalize site


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