ChemSpider 2D Image | 4-deoxy-Delta(4)-beta-D-GlcpA2S-(1->3)-beta-D-GalpNAc | C14H21NO14S

4-deoxy-δ(4)-β-D-GlcpA2S-(1->3)-β-D-GalpNAc

  • Molecular FormulaC14H21NO14S
  • Average mass459.380 Da
  • Monoisotopic mass459.068268 Da
  • ChemSpider ID26333067

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-3-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-3-O-(4-desoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-3-O-(4-désoxy-2-O-sulfo-α-L-thréo-hex-4-énopyranuronosyl)-β-D-galactopyranose [French] [ACD/IUPAC Name]
4-deoxy-δ(4)-β-D-GlcpA2S-(1->3)-β-D-GalpNAc
β-D-Galactopyranose, 2-(acetylamino)-2-deoxy-3-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)- [ACD/Index Name]
2-(acetylamino)-2-deoxy-3-O-(4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl)-β-D-galactopyranose
missing
  • Miscellaneous

    • Chemical Class:

      An oligosaccharide sulfate that is 2-acetamido-2-deoxy-3-<element>O</element>-(4-deoxy-<stereo>alpha</stereo>-<stereo>L</stereo>-<stereo>threo</stereo>-hex-4-enopyranuronosyl)-<stereo>beta</stereo>-<s tereo>D</stereo>-galactopyranose in which the hydroxy group at position 2 of the 4-deoxy-hex-4-enopyranuronosyl moiety is converted to the corresponding sulfate derivative. ChEBI CHEBI:63271
      An oligosaccharide sulfate that is 2-acetamido-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose in which the hydroxy group at position 2 of the 4-deoxy-hex-4-enopyranu ronosyl moiety is converted to the corresponding sulfate derivative. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:63271, CHEBI:63271

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.651
Molar Refractivity: 91.2±0.4 cm3
#H bond acceptors: 15
#H bond donors: 7
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -1.88
ACD/LogD (pH 5.5): -7.41
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 247 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 106.0±5.0 dyne/cm
Molar Volume: 249.7±5.0 cm3

Click to predict properties on the Chemicalize site


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