ChemSpider 2D Image | alpha-D-GlcNAc-(1->4)-D-GlcA | C14H23NO12

α-D-GlcNAc-(1->4)-D-GlcA

  • Molecular FormulaC14H23NO12
  • Average mass397.332 Da
  • Monoisotopic mass397.122040 Da
  • ChemSpider ID28532841

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

4-O-(2-Acetamido-2-deoxy-α-D-glucopyranosyl)-D-glucopyranuronic acid [ACD/IUPAC Name]
4-O-(2-Acetamido-2-desoxy-α-D-glucopyranosyl)-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-O-(2-acétamido-2-désoxy-α-D-glucopyranosyl)-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 4-O-[2-(acetylamino)-2-deoxy-α-D-glucopyranosyl]- [ACD/Index Name]
α-D-GlcNAc-(1->4)-D-GlcA
(GlcA)1 (GlcNAc)1
2-acetamido-2-deoxy-α-D-glucopyranosyl-(1->4)-D-glucopyranuronic acid
missing
N-acetyl-α-D-glucosaminyl-(1->4)-D-glucuronic acid
WURCS=2.0/2,2,1/[a2122A-1x1-5][a2122h-1a1-5_2*NCC/3=O]/1-2/a4-b1
More...

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

139626-60-1; 2284-00-6 [DBID]
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid derivative that consists of <stereo>D</stereo>-glucuronic acid having an <element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosaminyl residue attached at posi tion 4. An intermediate glycan in the degradation of heparan sulfate. ChEBI CHEBI:65141
      A carbohydrate acid derivative that consists of D-glucuronic acid having an N-acetyl-alpha-D-glucosaminyl residue attached at posi; tion 4. An intermediate glycan in the degradation of heparan sulfate . ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65141
      A carbohydrate acid derivative that consists of D-glucuronic acid having an N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate. ChEBI CHEBI:65141

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

Density: 1.7±0.1 g/cm3
Boiling Point: 832.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.6±6.0 kJ/mol
Flash Point: 457.2±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: -0.76
ACD/LogD (pH 5.5): -4.49
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.47
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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