ChemSpider 2D Image | (4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-py ran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)dihydro-2H-pyran-3,3,4,5(4H)-tetrol | C30H52O26

(4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-py ran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)dihydro-2H-pyran-3,3,4,5(4H)-tetrol

  • Molecular FormulaC30H52O26
  • Average mass828.718 Da
  • Monoisotopic mass828.274658 Da
  • ChemSpider ID9586723

  • defined stereocentres - 23 of 23 defined stereocentres

More details:

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

(4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-py ran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)dihydro-2H-pyran-3,3,4,5(4H)-tetrol [ACD/IUPAC Name]
(4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-py ran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)dihydro-2H-pyran-3,3,4,5(4H)-tetrol [German] [ACD/IUPAC Name]
(4S,5S,6R)-6-({[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-py ran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)dihydro-2H-pyrane-3,3,4,5(4H)-tétrol [French] [ACD/IUPAC Name]

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

Density: 1.9±0.1 g/cm3
Boiling Point: 1163.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 194.1±6.0 kJ/mol
Flash Point: 657.3±34.3 °C
Index of Refraction: 1.699
Molar Refractivity: 172.0±0.4 cm3
#H bond acceptors: 26
#H bond donors: 17
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 3
ACD/LogP: -6.04
ACD/LogD (pH 5.5): -6.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 427 Å2
Polarizability: 68.2±0.5 10-24cm3
Surface Tension: 130.7±5.0 dyne/cm
Molar Volume: 445.5±5.0 cm3

Click to predict properties on the Chemicalize site


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