ChemSpider 2D Image | Chondroitin sulfate | C19H33NO14S

Chondroitin sulfate

  • Molecular FormulaC19H33NO14S
  • Average mass531.529 Da
  • Monoisotopic mass531.162170 Da
  • ChemSpider ID29409389
  • defined stereocentres - 10 of 10 defined stereocentres


More details:






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

(2S,3S,4S,5R,6S)-6-({[(2R,3R,4S,5R,6S)-3-Acetamido-2,6-bis(hydroxymethyl)-5-(sulfomethyl)tetrahydro-2H-pyran-4-yl]methoxy}methyl)-4,5-dihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-carbonsäure (non- preferred name) [German] [ACD/IUPAC Name]
(2S,3S,4S,5R,6S)-6-({[(2R,3R,4S,5R,6S)-3-Acetamido-2,6-bis(hydroxymethyl)-5-(sulfomethyl)tetrahydro-2H-pyran-4-yl]methoxy}methyl)-4,5-dihydroxy-3-(hydroxymethyl)tetrahydro-2H-pyran-2-carboxylic acid ( non-preferred name) [ACD/IUPAC Name]
Acide (2S,3S,4S,5R,6S)-6-({[(2R,3R,4S,5R,6S)-3-acétamido-2,6-bis(hydroxyméthyl)-5-(sulfométhyl)tétrahydro-2H-pyran-4-yl]méthoxy}méthyl)-4,5-dihydroxy-3-(hydroxyméthyl)tétrahydro-2H-pyrane-2-carboxyliq ue [French] [ACD/IUPAC Name]
Chondroitin sulfate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 15
#H bond donors: 8
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: -5.27
ACD/LogD (pH 5.5): -9.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 258 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 88.3±5.0 dyne/cm
Molar Volume: 329.5±5.0 cm3

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