ChemSpider 2D Image | Methyl (1S,2S)-1,2,8-trihydroxy-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate | C15H12O7

Methyl (1S,2S)-1,2,8-trihydroxy-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate

  • Molecular FormulaC15H12O7
  • Average mass304.252 Da
  • Monoisotopic mass304.058289 Da
  • ChemSpider ID111319313

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,2S)-1,2,8-Trihydroxy-9-oxo-2,9-dihydro-1H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Xanthene-1-carboxylic acid, 2,9-dihydro-1,2,8-trihydroxy-9-oxo-, methyl ester, (1S,2S)- [ACD/Index Name]
Methyl (1S,2S)-1,2,8-trihydroxy-9-oxo-2,9-dihydro-1H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S,2S)-1,2,8-trihydroxy-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: 506.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 192.9±23.6 °C
Index of Refraction: 1.704
Molar Refractivity: 72.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.20
ACD/LogD (pH 5.5): 1.73
ACD/BCF (pH 5.5): 12.02
ACD/KOC (pH 5.5): 205.09
ACD/LogD (pH 7.4): 1.28
ACD/BCF (pH 7.4): 4.35
ACD/KOC (pH 7.4): 74.12
Polar Surface Area: 113 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 86.7±5.0 dyne/cm
Molar Volume: 185.4±5.0 cm3

Click to predict properties on the Chemicalize site


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