ChemSpider 2D Image | {(2S)-5-Oxo-3-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,5-dihydro-2-furanyl}acetic acid | C15H14O8

{(2S)-5-Oxo-3-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,5-dihydro-2-furanyl}acetic acid

  • Molecular FormulaC15H14O8
  • Average mass322.267 Da
  • Monoisotopic mass322.068878 Da
  • ChemSpider ID103883503

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(2S)-3-[(2R,3S)-3,4-Dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,5-dihydro-5-oxo-2-furanacetic acid
{(2S)-5-Oxo-3-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,5-dihydro-2-furanyl}acetic acid [ACD/IUPAC Name]
{(2S)-5-Oxo-3-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]-2,5-dihydro-2-furanyl}essigsäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, 3-[(2R,3S)-3,4-dihydro-3,5,7-trihydroxy-2H-1-benzopyran-2-yl]-2,5-dihydro-5-oxo-, (2S)- [ACD/Index Name]
695188-35-3 [RN]
Acide {(2S)-5-oxo-3-[(2R,3S)-3,5,7-trihydroxy-3,4-dihydro-2H-chromén-2-yl]-2,5-dihydro-2-furanyl}acétique [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 754.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.4±3.0 kJ/mol
Flash Point: 286.2±26.4 °C
Index of Refraction: 1.687
Molar Refractivity: 74.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.86
ACD/LogD (pH 5.5): -2.00
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 134 Å2
Polarizability: 29.4±0.5 10-24cm3
Surface Tension: 88.5±3.0 dyne/cm
Molar Volume: 194.5±3.0 cm3

Click to predict properties on the Chemicalize site


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