ChemSpider 2D Image | 2-Deoxy-4-O-(4-deoxy-2-O-sulfonato-alpha-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-2-(sulfonatoamino)-alpha-D-glucopyranose | C12H15NO19S3

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

  • Molecular FormulaC12H15NO19S3
  • Average mass573.440 Da
  • Monoisotopic mass572.942261 Da
  • ChemSpider ID4450669

  • Charge - Charge

    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-sulfonato-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-2-(sulfonatoamino)-α-D-glucopyranose [ACD/IUPAC Name]
2-Desoxy-4-O-(4-desoxy-2-O-sulfonato-α-L-threo-hex-4-enopyranuronosyl)-6-O-sulfonato-2-(sulfonatoamino)-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Désoxy-4-O-(4-désoxy-2-O-sulfonato-α-L-thréo-hex-4-énopyranuronosyl)-6-O-sulfonato-2-(sulfonatoamino)-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), ion(4-) [ACD/Index Name]
(2R,3R,4S)-2-({(2R,3S,4R,5R,6S)-4,6-dihydroxy-5-(sulfonatoamino)-2-[(sulfonatooxy)methyl]tetrahydro-2H-pyran-3-yl}oxy)-4-hydroxy-3-(sulfonatooxy)-3,4-dihydro-2H-pyran-6-carboxylate (non-preferred name)
H1S
HEPARIN DISACCHARIDE I-S
heparin disaccharide I-S(4-)
  • Miscellaneous

    • Chemical Class:

      A monocarboxylic acid anion obtained by deprotonation of the carboxy group, both sulfate groups and sulfamic acid group of HP_dp02_0009. ChEBI CHEBI:43053

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

Density:
Boiling Point:
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Enthalpy of Vaporization:
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Index of Refraction:
Molar Refractivity:
#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: 356 Å2
Polarizability:
Surface Tension:
Molar Volume:

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