ChemSpider 2D Image | (2S)-1-(2,4-Dihydroxy-5-isobutyrylphenyl)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methyl-1-pentanone | C24H34O8

(2S)-1-(2,4-Dihydroxy-5-isobutyrylphenyl)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methyl-1-pentanone

  • Molecular FormulaC24H34O8
  • Average mass450.522 Da
  • Monoisotopic mass450.225372 Da
  • ChemSpider ID78437831

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(2S)-1-(2,4-Dihydroxy-5-isobutyrylphenyl)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methyl-1-pentanon [German] [ACD/IUPAC Name]
(2S)-1-(2,4-Dihydroxy-5-isobutyrylphenyl)-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methyl-1-pentanone [ACD/IUPAC Name]
(2S)-1-(2,4-Dihydroxy-5-isobutyrylphényl)-2-[(2S,3S,4R,6R,8R)-2-éthyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-méthyl-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-[2,4-dihydroxy-5-(2-methyl-1-oxopropyl)phenyl]-2-[(2S,3S,4R,6R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-3-methyl-, (2S)- [ACD/Index Name]
Luminacin B1

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

Density: 1.3±0.1 g/cm3
Boiling Point: 666.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 224.6±25.0 °C
Index of Refraction: 1.586
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.87
ACD/LogD (pH 5.5): 4.27
ACD/BCF (pH 5.5): 941.40
ACD/KOC (pH 5.5): 4214.09
ACD/LogD (pH 7.4): 2.66
ACD/BCF (pH 7.4): 23.10
ACD/KOC (pH 7.4): 103.43
Polar Surface Area: 137 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 345.0±5.0 cm3

Click to predict properties on the Chemicalize site


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