ChemSpider 2D Image | (2R,3S,4S,5R,6S)-6-(Hydroxymethyl)-5-{[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxy
methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol | C30H52O26

(2R,3S,4S,5R,6S)-6-(Hydroxymethyl)-5-{[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxy methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol

  • Molecular FormulaC30H52O26
  • Average mass828.718 Da
  • Monoisotopic mass828.274658 Da
  • ChemSpider ID9449428
  • defined stereocentres - 25 of 25 defined stereocentres


More details:






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

(2R,3S,4S,5R,6S)-6-(Hydroxymethyl)-5-{[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxy methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol [ACD/IUPAC Name]
(2R,3S,4S,5R,6S)-6-(Hydroxymethyl)-5-{[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxy methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-2-yl]oxy}methyl)tetrahydro-2H-pyran-3-yl]oxy}tetrahydro-2H-pyran-2,3,4-triol [German] [ACD/IUPAC Name]
(2R,3S,4S,5R,6S)-6-(Hydroxyméthyl)-5-{[(2R,3R,4R,5R,6S)-4,5,6-trihydroxy-2-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxy méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-2-yl]oxy}méthyl)tétrahydro-2H-pyran-3-yl]oxy}tétrahydro-2H-pyrane-2,3,4-triol [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: 1161.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 193.9±6.0 kJ/mol
Flash Point: 656.4±34.3 °C
Index of Refraction: 1.697
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: -4.91
ACD/LogD (pH 5.5): -6.05
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.05
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: 129.6±5.0 dyne/cm
Molar Volume: 446.3±5.0 cm3

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