ChemSpider 2D Image | (1S,2R,3S,4R)-2,3,4-Trihydroxy-5-oxocyclohexanaminium | C6H12NO4

(1S,2R,3S,4R)-2,3,4-Trihydroxy-5-oxocyclohexanaminium

  • Molecular FormulaC6H12NO4
  • Average mass162.163 Da
  • Monoisotopic mass162.076080 Da
  • ChemSpider ID28184742

  • Charge - Charge

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2R,3S,4R)-2,3,4-Trihydroxy-5-oxocyclohexanaminium [German] [ACD/IUPAC Name]
(1S,2R,3S,4R)-2,3,4-Trihydroxy-5-oxocyclohexanaminium [ACD/IUPAC Name]
(1S,2R,3S,4R)-2,3,4-Trihydroxy-5-oxocyclohexanaminium [French] [ACD/IUPAC Name]
Cyclohexanone, 5-amino-2,3,4-trihydroxy-, conjugate acid, (2R,3S,4R,5S)- [ACD/Index Name]
3-amino-2,3-dideoxy-scyllo-inosose
3-amino-2,3-dideoxy-scyllo-inosose(1+)
3-ammonio-2,3-dideoxy-scyllo-inosose
3-ammonio-2,3-dideoxy-scyllo-inosose(1+)
  • Miscellaneous

    • Chemical Class:

      An organic cation obtained by protonation of the amino group of 3-amino-2,3-dideoxy-scyllo-inosose; major species at pH 7.3. ChEBI CHEBI:65002

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

Density:
Boiling Point: 341.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 67.8±6.0 kJ/mol
Flash Point: 160.2±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.90
ACD/LogD (pH 5.5): -4.50
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 105 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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