ChemSpider 2D Image | (5R)-5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanone | C12H18O11

(5R)-5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanone

  • Molecular FormulaC12H18O11
  • Average mass338.265 Da
  • Monoisotopic mass338.084900 Da
  • ChemSpider ID28604839

  • defined stereocentres - 4 of 7 defined stereocentres

More details:

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

(5R)-5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-5-(1,2-Dihydroxyethyl)-4-hydroxy-3-{[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanone [ACD/IUPAC Name]
(5R)-5-(1,2-Dihydroxyéthyl)-4-hydroxy-3-{[(2S,5R,6S)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}-2(5H)-furanone [French] [ACD/IUPAC Name]

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

Density: 1.8±0.1 g/cm3
Boiling Point: 785.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.2 mmHg at 25°C
Enthalpy of Vaporization: 130.2±6.0 kJ/mol
Flash Point: 296.5±26.4 °C
Index of Refraction: 1.670
Molar Refractivity: 68.9±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -2.57
ACD/LogD (pH 5.5): -4.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 114.2±5.0 dyne/cm
Molar Volume: 184.4±5.0 cm3

Click to predict properties on the Chemicalize site


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