ChemSpider 2D Image | alpha-D-GlcNAc6S-(1->4)-D-GlcA | C14H23NO15S

α-D-GlcNAc6S-(1->4)-D-GlcA

  • Molecular FormulaC14H23NO15S
  • Average mass477.395 Da
  • Monoisotopic mass477.078827 Da
  • ChemSpider ID28532842

  • 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-6-O-sulfo-α-D-glucopyranosyl)-D-glucopyranuronic acid [ACD/IUPAC Name]
4-O-(2-Acetamido-2-desoxy-6-O-sulfo-α-D-glucopyranosyl)-D-glucopyranuronsäure [German] [ACD/IUPAC Name]
Acide 4-O-(2-acétamido-2-désoxy-6-O-sulfo-α-D-glucopyranosyl)-D-glucopyranuronique [French] [ACD/IUPAC Name]
D-Glucopyranuronic acid, 4-O-[2-(acetylamino)-2-deoxy-6-O-sulfo-α-D-glucopyranosyl]- [ACD/Index Name]
α-D-GlcNAc6S-(1->;4)-D-GlcA
(GlcA)1 (GlcNAc)1 (S)1
2-acetamido-2-deoxy-6-O-sulfo-α-D-glucopyranosyl-(1->4)-D-glucopyranuronic acid
6-O-sulfo-N-acetyl-α-D-glucosaminyl-(1->4)-D-glucuronic acid
missing
α-D-GlcpNAc6S-(1->4)-D-GlcpA
  • Miscellaneous

    • Chemical Class:

      A carbohydrate acid derivative that consists of <stereo>D</stereo>-glucuronic acid having a 6-<element>O</element>-sulfo-<element>N</element>-acetyl-<stereo>alpha</stereo>-<stereo>D</stereo>-glucosami nyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate. ChEBI CHEBI:65142
      A carbohydrate acid derivative that consists of D-glucuronic acid having a 6-O-sulfo-N-acetyl-alpha-D-glucosami; nyl residue attached at position 4. An intermediate glycan in the degradation of hepara n sulfate. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:65142
      A carbohydrate acid derivative that consists of D-glucuronic acid having a 6-O-sulfo-N-acetyl-alpha-D-glucosaminyl residue attached at position 4. An intermediate glycan in the degradation of heparan sulfate. ChEBI CHEBI:65142

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.650
Molar Refractivity: 93.0±0.4 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: -0.99
ACD/LogD (pH 5.5): -7.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 267 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 112.4±5.0 dyne/cm
Molar Volume: 255.0±5.0 cm3

Click to predict properties on the Chemicalize site


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