ChemSpider 2D Image | N-[(2S,3R,4R,5S,6R)-4-{[(3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyr an-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyr an-3-yl]acetamide | C34H58N2O26

N-[(2S,3R,4R,5S,6R)-4-{[(3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyr an-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyr an-3-yl]acetamide

  • Molecular FormulaC34H58N2O26
  • Average mass910.822 Da
  • Monoisotopic mass910.327759 Da
  • ChemSpider ID8394678

  • defined stereocentres - 23 of 25 defined stereocentres

More details:

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

N-[(2S,3R,4R,5S,6R)-4-{[(3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyr an-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyr an-3-yl]acetamid [German] [ACD/IUPAC Name]
N-[(2S,3R,4R,5S,6R)-4-{[(3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}tetrahydro-2H-pyr an-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxymethyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyr an-3-yl]acetamide [ACD/IUPAC Name]
N-[(2S,3R,4R,5S,6R)-4-{[(3R,4S,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-Acétamido-5-hydroxy-6-(hydroxyméthyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}tétrahydro-2H-pyr an-2-yl]oxy}-2,4-dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}-5-hydroxy-6-(hydroxyméthyl)-2-{[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxyméthyl)tétrahydro-2H-pyran-3-yl]oxy}tétrahydro-2H-pyr an-3-yl]acétamide [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 1314.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 222.5±6.0 kJ/mol
Flash Point: 748.7±34.3 °C
Index of Refraction: 1.667
Molar Refractivity: 195.0±0.4 cm3
#H bond acceptors: 28
#H bond donors: 17
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: -4.27
ACD/LogD (pH 5.5): -5.37
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 445 Å2
Polarizability: 77.3±0.5 10-24cm3
Surface Tension: 110.6±5.0 dyne/cm
Molar Volume: 523.9±5.0 cm3

Click to predict properties on the Chemicalize site


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