ChemSpider 2D Image | (2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-5-[3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-2-hydroxy-propoxy]-3,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol | C39H68O33

(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-5-[3-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydropyran-2-yl]methoxy]-2-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-3-yl]oxy-2-hydroxy-propoxy]-3,4-dihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2,3,4,5-tetrol

  • Molecular FormulaC39H68O33
  • Average mass1064.937 Da
  • Monoisotopic mass1064.364258 Da
  • ChemSpider ID8164281

  • defined stereocentres - 30 of 31 defined stereocentres

More details:

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

(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-5-(3-{[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-{[(2R,3S,4S,5R,6S)-3,4,5,6-tetrahydroxytetrahydro-2H-pyran-2-yl]methoxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox ymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}-2-hydroxypropoxy)-3,4-dihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)te trahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro [German] [ACD/IUPAC Name]
(2S,3R,4S,5S,6R)-6-({[(2R,3R,4R,5S,6R)-5-(3-{[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-6-{[(2R,3S,4S,5R,6S)-3,4,5,6-tétrahydroxytétrahydro-2H-pyran-2-yl]méthoxy}-2-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox yméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-3-yl]oxy}-2-hydroxypropoxy)-3,4-dihydroxy-6-({[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)té trahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro [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: 1361.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 231.6±6.0 kJ/mol
Flash Point: 777.2±34.3 °C
Index of Refraction: 1.694
Molar Refractivity: 222.8±0.4 cm3
#H bond acceptors: 33
#H bond donors: 21
#Freely Rotating Bonds: 20
#Rule of 5 Violations: 3
ACD/LogP: -9.84
ACD/LogD (pH 5.5): -10.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.33
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 536 Å2
Polarizability: 88.3±0.5 10-24cm3
Surface Tension: 128.2±5.0 dyne/cm
Molar Volume: 580.6±5.0 cm3

Click to predict properties on the Chemicalize site


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