ChemSpider 2D Image | Methyl (2R)-5-hydroxy-7-(hydroxymethyl)-4-oxo-2-[(2S)-5-oxotetrahydro-2-furanyl]-2-chromanecarboxylate | C16H16O8

Methyl (2R)-5-hydroxy-7-(hydroxymethyl)-4-oxo-2-[(2S)-5-oxotetrahydro-2-furanyl]-2-chromanecarboxylate

  • Molecular FormulaC16H16O8
  • Average mass336.293 Da
  • Monoisotopic mass336.084503 Da
  • ChemSpider ID78437434

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2R)-5-Hydroxy-7-(hydroxyméthyl)-4-oxo-2-[(2S)-5-oxotétrahydro-2-furanyl]-2-chromanecarboxylate de méthyle [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-carboxylic acid, 3,4-dihydro-5-hydroxy-7-(hydroxymethyl)-4-oxo-2-[(2S)-tetrahydro-5-oxo-2-furanyl]-, methyl ester, (2R)- [ACD/Index Name]
Methyl (2R)-5-hydroxy-7-(hydroxymethyl)-4-oxo-2-[(2S)-5-oxotetrahydro-2-furanyl]-2-chromanecarboxylate [ACD/IUPAC Name]
Methyl-(2R)-5-hydroxy-7-(hydroxymethyl)-4-oxo-2-[(2S)-5-oxotetrahydro-2-furanyl]-2-chromancarboxylat [German] [ACD/IUPAC Name]
Gonytolide G

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

Density: 1.5±0.1 g/cm3
Boiling Point: 634.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 237.9±25.0 °C
Index of Refraction: 1.616
Molar Refractivity: 77.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 0.44
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.82
ACD/KOC (pH 5.5): 53.30
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 26.97
Polar Surface Area: 119 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 71.2±3.0 dyne/cm
Molar Volume: 222.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement