ChemSpider 2D Image | (1S,2R,3S,4S,5R)-2,3,4,5-Tetrahydroxycyclohexanaminium | C6H14NO4

(1S,2R,3S,4S,5R)-2,3,4,5-Tetrahydroxycyclohexanaminium

  • Molecular FormulaC6H14NO4
  • Average mass164.179 Da
  • Monoisotopic mass164.091736 Da
  • ChemSpider ID28184743
  • Charge - Charge

    defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(1S,2R,3S,4S,5R)-2,3,4,5-Tetrahydroxycyclohexanaminium [German] [ACD/IUPAC Name]
(1S,2R,3S,4S,5R)-2,3,4,5-Tetrahydroxycyclohexanaminium [ACD/IUPAC Name]
(1S,2R,3S,4S,5R)-2,3,4,5-Tétrahydroxycyclohexanaminium [French] [ACD/IUPAC Name]
1,2,3,4-Cyclohexanetetrol, 5-amino-, conjugate acid, (1R,2S,3S,4R,5S)- [ACD/Index Name]
(1R,2S,3S,4R,5S)-5-aminocyclohexane-1,2,3,4-tetrol
2-Deoxy-scyllo-inosamine
2-deoxy-scyllo-inosamine(1+)
2-deoxy-scyllo-inosaminium(1+)
  • Miscellaneous
    • Chemical Class:

      An organic cation obtained by deprotonation of the amino group of 2-deoxy-scyllo-inosamine; major species at pH 7.3. ChEBI CHEBI:65003

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

Density:
Boiling Point: 301.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.9±6.0 kJ/mol
Flash Point: 136.4±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 6
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.81
ACD/LogD (pH 5.5): -5.26
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.29
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability:
Surface Tension:
Molar Volume:

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