ChemSpider 2D Image | 4-O-(2,3-Di-O-sulfo-beta-D-xylopyranosyl)-2,3-di-O-sulfo-beta-D-xylopyranose | C10H18O21S4

4-O-(2,3-Di-O-sulfo-β-D-xylopyranosyl)-2,3-di-O-sulfo-β-D-xylopyranose

  • Molecular FormulaC10H18O21S4
  • Average mass602.497 Da
  • Monoisotopic mass601.922363 Da
  • ChemSpider ID34595

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

4-O-(2,3-Di-O-sulfo-β-D-xylopyranosyl)-2,3-di-O-sulfo-β-D-xylopyranose [ACD/IUPAC Name]
4-O-(2,3-Di-O-sulfo-β-D-xylopyranosyl)-2,3-di-O-sulfo-β-D-xylopyranose [German] [ACD/IUPAC Name]
4-O-(2,3-Di-O-sulfo-β-D-xylopyranosyl)-2,3-di-O-sulfo-β-D-xylopyranose [French] [ACD/IUPAC Name]
β-D-Xylopyranose, 4-O-(2,3-di-O-sulfo-β-D-xylopyranosyl)-, 2,3-bis(hydrogen sulfate) [ACD/Index Name]
[(2R,3R,4S,5R)-2-hydroxy-5-{[(2S,3R,4S,5R)-5-hydroxy-3,4-bis(sulfooxy)oxan-2-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
[(2S,3R,4S,5R)-5-hydroxy-2-{[(3R,4S,5R,6R)-6-hydroxy-4,5-bis(sulfooxy)oxan-3-yl]oxy}-4-(sulfooxy)oxan-3-yl]oxidanesulfonic acid
11096-31-4 [RN]
116001-96-8 [RN]
37300-21-3 [RN]
39432-58-1 [RN]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

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

Density: 2.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.683
Molar Refractivity: 100.8±0.4 cm3
#H bond acceptors: 21
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.56
ACD/LogD (pH 5.5): -10.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 356 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 142.8±5.0 dyne/cm
Molar Volume: 265.7±5.0 cm3

Click to predict properties on the Chemicalize site


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