ChemSpider 2D Image | Methyl (1S,2S,3S)-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate | C16H16O8

Methyl (1S,2S,3S)-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID34981903

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,3S)-2,3,8-Trihydroxy-6-(hydroxyméthyl)-9-oxo-2,3,4,9-tétrahydro-1H-xanthène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1H-Xanthene-1-carboxylic acid, 2,3,4,9-tetrahydro-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-, methyl ester, (1S,2S,3S)- [ACD/Index Name]
Methyl (1S,2S,3S)-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-2,3,4,9-tetrahydro-1H-xanthene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S,2S,3S)-2,3,8-trihydroxy-6-(hydroxymethyl)-9-oxo-2,3,4,9-tetrahydro-1H-xanthen-1-carboxylat [German] [ACD/IUPAC Name]
engyodontiumone G

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

Density: 1.6±0.1 g/cm3
Boiling Point: 615.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 96.0±3.0 kJ/mol
Flash Point: 230.5±25.0 °C
Index of Refraction: 1.684
Molar Refractivity: 78.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.32
ACD/LogD (pH 5.5): 0.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.16
ACD/LogD (pH 7.4): -0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.92
Polar Surface Area: 134 Å2
Polarizability: 31.0±0.5 10-24cm3
Surface Tension: 89.2±5.0 dyne/cm
Molar Volume: 206.0±5.0 cm3

Click to predict properties on the Chemicalize site


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