ChemSpider 2D Image | 2-Acetamido-2-deoxy-4-O-alpha-L-idopyranuronosyl-alpha-D-glucopyranose | C14H23NO12

2-Acetamido-2-deoxy-4-O-α-L-idopyranuronosyl-α-D-glucopyranose

  • Molecular FormulaC14H23NO12
  • Average mass397.332 Da
  • Monoisotopic mass397.122040 Da
  • ChemSpider ID64808342

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

2-Acetamido-2-deoxy-4-O-α-L-idopyranuronosyl-α-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-4-O-α-L-idopyranuronosyl-α-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-4-O-α-L-idopyranuronosyl-α-D-glucopyranose [French] [ACD/IUPAC Name]
α-D-Glucopyranose, 2-(acetylamino)-2-deoxy-4-O-α-L-idopyranuronosyl- [ACD/Index Name]
HPdp020004
α-L-IdopA-(1-4)-α-D-GlcpNAc
  • Miscellaneous

    • Chemical Class:

      A heparin disaccharide that is <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosamine in which the hydroxy group at position 4 has been glycosylated by <stereo>alpha</stereo >-<stereo>L</stereo>-idopyranuronic acid. Sequence: IdoA-GlcNAc ChEBI CHEBI:138715
      A heparin disaccharide that is N-acetyl-alpha-D-glucosamine in which the hydroxy group at position 4 has been glycosylated by alpha-L-idopyranuronic acid. Sequence: IdoA-GlcNAc ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:138715, CHEBI:138715

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

Density: 1.7±0.1 g/cm3
Boiling Point: 866.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 143.1±6.0 kJ/mol
Flash Point: 477.8±34.3 °C
Index of Refraction: 1.636
Molar Refractivity: 82.4±0.4 cm3
#H bond acceptors: 13
#H bond donors: 8
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 2
ACD/LogP: -4.28
ACD/LogD (pH 5.5): -6.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.93
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 215 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 101.6±5.0 dyne/cm
Molar Volume: 230.0±5.0 cm3

Click to predict properties on the Chemicalize site


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