ChemSpider 2D Image | (3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-one (non-preferred name) | C12H20O11

(3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-one (non-preferred name)

  • Molecular FormulaC12H20O11
  • Average mass340.281 Da
  • Monoisotopic mass340.100555 Da
  • ChemSpider ID62565359

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-on (non-preferred name) [German] [ACD/IUPAC Name]
(3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)-5-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyran-2-one (non-preferred name) [ACD/IUPAC Name]
(3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxyméthyl)-5-{[(2S,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyran-2-one (non-preferred name) [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: 668.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.4±6.0 kJ/mol
Flash Point: 252.3±25.0 °C
Index of Refraction: 1.640
Molar Refractivity: 69.4±0.4 cm3
#H bond acceptors: 11
#H bond donors: 7
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: -4.74
ACD/LogD (pH 5.5): -4.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 186 Å2
Polarizability: 27.5±0.5 10-24cm3
Surface Tension: 106.5±5.0 dyne/cm
Molar Volume: 192.6±5.0 cm3

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