ChemSpider 2D Image | beta-N,N',N''-triacetylchitotriose | C24H41N3O16

β-N,N',N''-triacetylchitotriose

  • Molecular FormulaC24H41N3O16
  • Average mass627.593 Da
  • Monoisotopic mass627.248657 Da
  • ChemSpider ID392429

  • defined stereocentres - 15 of 15 defined stereocentres

More details:

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

13319-32-9 [RN]
1398-61-4 [RN]
2-Acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-β-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranosyl-(1->4)-2-acetamido-2-desoxy-β-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranosyl-(1->4)-2-acétamido-2-désoxy-β-D-glucopyranose [French] [ACD/IUPAC Name]
GlcNAcbeta1-4GlcNAcbeta1-4GlcNAcbeta
N,N',N''-triacetyl chitotriose β-anomer
N-[(2R,3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
β-D-GlcNAc-(1->4)-β-D-GlcNAc-(1->;4)-β-D-GlcNAc
β-D-GlcpNAc-(1->4)-β-D-GlcpNAc-(1->4)-β-D-GlcpNAc
More...

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

  • Miscellaneous

    • Toxicity:

      Organic Compound; Ether; Food Toxin; Insect Toxin; Metabolite; Household Toxin; Animal Toxin; Natural Compound Toxin, Toxin-Target Database T3D4467

    • Chemical Class:

      A linear amino trisaccharide consisting of three <element>N</element>-acetyl-<stereo>beta</stereo>-<stereo>D</stereo>-glucosamine residues linked (1<arrow>right</arrow>4). ChEBI CHEBI:71404
      A linear amino trisaccharide consisting of three N-acetyl-beta-D-glucosamine residues linked (1->4). ChEBI CHEBI:71404
      A linear amino trisaccharide consisting of three N-acetyl-beta-D-glucosamine residues linked (1right4). ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:71404

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

Density: 1.6±0.1 g/cm3
Boiling Point: 1139.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 189.9±6.0 kJ/mol
Flash Point: 643.2±34.3 °C
Index of Refraction: 1.620
Molar Refractivity: 139.0±0.4 cm3
#H bond acceptors: 19
#H bond donors: 11
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -2.64
ACD/LogD (pH 5.5): -3.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 295 Å2
Polarizability: 55.1±0.5 10-24cm3
Surface Tension: 87.4±5.0 dyne/cm
Molar Volume: 395.9±5.0 cm3

Click to predict properties on the Chemicalize site


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