ChemSpider 2D Image | 2-Deoxy-4-O-(4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose | C12H19NO19S3

2-Deoxy-4-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose

  • Molecular FormulaC12H19NO19S3
  • Average mass577.470 Da
  • Monoisotopic mass576.971313 Da
  • ChemSpider ID395516

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Deoxy-4-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-4-O-(4-desoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-4-O-(4-désoxy-2-O-sulfo-α-L-thréo-hex-4-énopyranuronosyl)-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-deoxy-4-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-2-(sulfoamino)-, 6-(hydrogen sulfate) [ACD/Index Name]
H1S
HEPARIN DISACCHARIDE I-S
HPdp020009
α-δ4,5-UA(2S)-(1-4)-α-D-GlcpNS(6S)
  • Miscellaneous

    • Chemical Class:

      An unsaturated heparin disaccharide that is 2<element>N</element>,6-<element>O</element>-disulfo-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosamine in which the hydroxy group at position 4 has been glycosylated by 4-deoxy-2-<element>O</element>-sulfo-<stereo>alpha</stereo>-<stereo>L</stereo>-<stereo>threo</stereo>-hex-4-enopyranuronic acid. Sequence: DUA2S-GlcNS6S. ChEBI CHEBI:138683
      An unsaturated heparin disaccharide that is 2N,6-O-disulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic ac id. Sequence: DUA2S-GlcNS6S. ChEBI CHEBI:138683
      An unsaturated heparin disaccharide that is 2N,6-O-disulfo-alpha-D-glucosamine in which the hydroxy group at position 4 has been; glycosylated by 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid. Sequence: DUA2S-GlcNS6S. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138683

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

Density: 2.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.714
Molar Refractivity: 102.7±0.4 cm3
#H bond acceptors: 20
#H bond donors: 8
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -10.40
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 344 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 147.8±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

Click to predict properties on the Chemicalize site


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