Found 1 result

Search term: 78445040 (Found by CSID)
ChemSpider 2D Image | 1-(3-Acetyl-2,4-dihydroxy-5-isobutylphenyl)-2-[(2S,4R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-1-pentanone | C25H36O8

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

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID78445040

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

1-(3-Acetyl-2,4-dihydroxy-5-isobutylphenyl)-2-[(2S,4R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-1-pentanon [German] [ACD/IUPAC Name]
1-(3-Acetyl-2,4-dihydroxy-5-isobutylphenyl)-2-[(2S,4R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-1-pentanone [ACD/IUPAC Name]
1-(3-Acétyl-2,4-dihydroxy-5-isobutylphényl)-2-[(2S,4R,8R)-2-éthyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]-1-pentanone [French] [ACD/IUPAC Name]
1-Pentanone, 1-[3-acetyl-2,4-dihydroxy-5-(2-methylpropyl)phenyl]-2-[(2S,4R,8R)-2-ethyl-4,8-dihydroxy-1,5-dioxaspiro[2.5]oct-6-yl]- [ACD/Index Name]
Luminacin H

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

Density: 1.3±0.1 g/cm3
Boiling Point: 685.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.5±3.0 kJ/mol
Flash Point: 228.7±25.0 °C
Index of Refraction: 1.583
Molar Refractivity: 120.3±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.05
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4059.93
ACD/KOC (pH 5.5): 13287.64
ACD/LogD (pH 7.4): 4.82
ACD/BCF (pH 7.4): 2355.92
ACD/KOC (pH 7.4): 7710.63
Polar Surface Area: 137 Å2
Polarizability: 47.7±0.5 10-24cm3
Surface Tension: 60.0±5.0 dyne/cm
Molar Volume: 360.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement