ChemSpider 2D Image | Citrinin-13C13 | 13C13H14O5

Citrinin-13C13

  • Molecular Formula13C13H14O5
  • Average mass263.152 Da
  • Monoisotopic mass263.127747 Da
  • ChemSpider ID78316047

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R,4S)-8-Hydroxy-3,4,5-tris[(13C)methyl]-6-oxo(13C9)-4,6-dihydro-3H-isochromen-7-(13C)carbonsäure [German] [ACD/IUPAC Name]
(3R,4S)-8-Hydroxy-3,4,5-tris[(13C)methyl]-6-oxo(13C9)-4,6-dihydro-3H-isochromene-7-(13C)carboxylic acid [ACD/IUPAC Name]
3H-2-Benzopyran-1,3,4,4a,5,6,7,8,8a-13C9-7-carboxylic-13C acid, 4,6-dihydro-8-hydroxy-3,4,5-tri(methyl-13C)-6-oxo-, (3R,4S)- [ACD/Index Name]
Acide (3R,4S)-8-hydroxy-3,4,5-tris[(13C)méthyl]-6-oxo(13C9)-4,6-dihydro-3H-isochromène-7-(13C)carboxylique [French] [ACD/IUPAC Name]
Citrinin-13C13
(3R,4S)-8-hydroxy-3,4,5-tri((113C)methyl)-6-oxo-3,4-dihydroisochromene-7-(13C)carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.596
Molar Refractivity: 61.7±0.4 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 24.5±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 181.5±5.0 cm3

Click to predict properties on the Chemicalize site


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