ChemSpider 2D Image | dihydrocitrinin | C13H16O5

dihydrocitrinin

  • Molecular FormulaC13H16O5
  • Average mass252.263 Da
  • Monoisotopic mass252.099777 Da
  • ChemSpider ID23340860

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-6,8-Dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromen-7-carbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-6,8-Dihydroxy-3,4,5-trimethyl-3,4-dihydro-1H-isochromene-7-carboxylic acid [ACD/IUPAC Name]
1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-6,8-dihydroxy-3,4,5-trimethyl-, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-6,8-dihydroxy-3,4,5-triméthyl-3,4-dihydro-1H-isochromène-7-carboxylique [French] [ACD/IUPAC Name]
dihydrocitrinin
92838-21-6 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465873/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 405.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 153.7±22.2 °C
Index of Refraction: 1.588
Molar Refractivity: 65.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.53
ACD/LogD (pH 5.5): 0.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.50
ACD/LogD (pH 7.4): 0.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.50
Polar Surface Area: 87 Å2
Polarizability: 25.8±0.5 10-24cm3
Surface Tension: 55.5±3.0 dyne/cm
Molar Volume: 193.0±3.0 cm3

Click to predict properties on the Chemicalize site


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