ChemSpider 2D Image | 3-Ammonio-3-deoxy-6-O-phosphonato-D-glucopyranose | C6H13NO8P

3-Ammonio-3-deoxy-6-O-phosphonato-D-glucopyranose

  • Molecular FormulaC6H13NO8P
  • Average mass258.144 Da
  • Monoisotopic mass258.038422 Da
  • ChemSpider ID28639111

  • Charge - Charge

    defined stereocentres - 4 of 5 defined stereocentres

More details:

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

3-Ammonio-3-deoxy-6-O-phosphonato-D-glucopyranose [ACD/IUPAC Name]
3-Ammonio-3-desoxy-6-O-phosphonato-D-glucopyranose [German] [ACD/IUPAC Name]
3-Ammonio-3-désoxy-6-O-phosphonato-D-glucopyranose [French] [ACD/IUPAC Name]
D-Glucopyranose, 3-amino-3-deoxy-, 6-(dihydrogen phosphate), inner salt, ion(1-) [ACD/Index Name]
3-amino-3-deoxy-6-O-phosphono-D-glucopyranose(1-)
D-Kanosamine 6-phosphate
D-kanosamine 6-phosphate(1-)
kanosamine 6-phosphate(1-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained from 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose by removal of both protons from the phosphate group and protonation of the a; mino group. The major species at p H 7.3. ChEBI CHEBI:72748
      An organophosphate oxoanion obtained from 3-amino-3-deoxy-6-O-phosphono-D-glucopyranose by removal of both protons from the phosphate group and protonation of the amino group. The major species at pH 7.3. ChEBI CHEBI:72748

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

Density:
Boiling Point: 586.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.5±6.0 kJ/mol
Flash Point: 308.5±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 7
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: -1.11
ACD/LogD (pH 5.5): -4.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.54
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 180 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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