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Search term: KYKNQNQCPWDNAK-CBTAGEKQSA-L (Found by InChIKey (full match))

ChemSpider 2D Image | 2-Acetamido-4-O-(2-acetamido-2-deoxy-6-O-phosphonato-beta-D-glucopyranosyl)-2-deoxy-D-glucopyranose | C16H27N2O14P

2-Acetamido-4-O-(2-acetamido-2-deoxy-6-O-phosphonato-β-D-glucopyranosyl)-2-deoxy-D-glucopyranose

  • Molecular FormulaC16H27N2O14P
  • Average mass502.365 Da
  • Monoisotopic mass502.121094 Da
  • ChemSpider ID28184707
  • Charge - Charge

    defined stereocentres - 9 of 10 defined stereocentres


More details:






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

2-Acetamido-4-O-(2-acetamido-2-deoxy-6-O-phosphonato-β-D-glucopyranosyl)-2-deoxy-D-glucopyranose [ACD/IUPAC Name]
2-Acetamido-4-O-(2-acetamido-2-desoxy-6-O-phosphonato-β-D-glucopyranosyl)-2-desoxy-D-glucopyranose [German] [ACD/IUPAC Name]
2-Acétamido-4-O-(2-acétamido-2-désoxy-6-O-phosphonato-β-D-glucopyranosyl)-2-désoxy-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 2-(acetylamino)-4-O-[2-(acetylamino)-2-deoxy-6-O-phosphono-β-D-glucopyranosyl]-2-deoxy-, ion(2-) [ACD/Index Name]
2-acetamido-2-deoxy-6-O-phosphonato-β-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose
diacetylchitobiose-6'-phosphate
diacetylchitobiose-6-phosphate
diacetylchitobiose-6'-phosphate(2-)
N,N'-diacetylchitobiose-6-phosphate
  • Miscellaneous
    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the phosphate OH groups of diacetylchitobiose-6-phosphate; major species at pH 7.3. ChEBI CHEBI:64883

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -1.73
ACD/LogD (pH 5.5): -5.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.03
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 269 Å2
Polarizability:
Surface Tension:
Molar Volume:

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