ChemSpider 2D Image | Methyl (1S,2S)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate | C16H14O7

Methyl (1S,2S)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate

  • Molecular FormulaC16H14O7
  • Average mass318.278 Da
  • Monoisotopic mass318.073944 Da
  • ChemSpider ID62290649

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-2,8-Dihydroxy-6-(hydroxyméthyl)-9-oxo-2,9-dihydro-1H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Xanthene-1-carboxylic acid, 2,9-dihydro-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-, methyl ester, (1S,2S)- [ACD/Index Name]
Methyl (1S,2S)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S,2S)-2,8-dihydroxy-6-(hydroxymethyl)-9-oxo-2,9-dihydro-1H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 624.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.2±3.0 kJ/mol
Flash Point: 236.4±25.0 °C
Index of Refraction: 1.686
Molar Refractivity: 76.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.77
ACD/LogD (pH 5.5): 1.03
ACD/BCF (pH 5.5): 3.58
ACD/KOC (pH 5.5): 86.00
ACD/LogD (pH 7.4): 0.52
ACD/BCF (pH 7.4): 1.10
ACD/KOC (pH 7.4): 26.46
Polar Surface Area: 113 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 81.9±5.0 dyne/cm
Molar Volume: 201.3±5.0 cm3

Click to predict properties on the Chemicalize site


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