ChemSpider 2D Image | globosumone C | C13H16O7

globosumone C

  • Molecular FormulaC13H16O7
  • Average mass284.262 Da
  • Monoisotopic mass284.089600 Da
  • ChemSpider ID24714045
  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

5-Deoxy-1-O-(2,4-dihydroxy-6-methylbenzoyl)-L-ribulose [ACD/IUPAC Name]
5-Désoxy-1-O-(2,4-dihydroxy-6-méthylbenzoyl)-L-ribulose [French] [ACD/IUPAC Name]
globosumone C
L-erythro-2-Pentulose, 5-deoxy-, 1-(2,4-dihydroxy-6-methylbenzoate) [ACD/Index Name]
(3S,4S)-3,4-dihydroxy-2-oxopentyl 2,4-dihydroxy-6-methylbenzoate
2'-oxo-3'R,4'S-dihydroxypentyl orsellinate
  • Miscellaneous
    • Chemical Class:

      A benzoate ester obtained by the formal condensation of <ital>o</ital>-orsellinic acid with (3<stereo>S</stereo>,4<stereo>S</stereo>)-1,3,4-trihydroxypentan-2-one. It has been isolated from <ital>Chae tomium globosum</ital>. ChEBI CHEBI:68707
      A benzoate ester obtained by the formal condensation of o-orsellinic acid with (3S,4S)-1,3,4-trihydroxypentan-2-one. It has been isolated from Chae; tomium globosum. ChEBI

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 580.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.3±3.0 kJ/mol
Flash Point: 222.3±23.6 °C
Index of Refraction: 1.600
Molar Refractivity: 68.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 1.69
ACD/BCF (pH 5.5): 11.25
ACD/KOC (pH 5.5): 196.11
ACD/LogD (pH 7.4): 1.39
ACD/BCF (pH 7.4): 5.62
ACD/KOC (pH 7.4): 98.03
Polar Surface Area: 124 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 67.9±3.0 dyne/cm
Molar Volume: 199.4±3.0 cm3

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