ChemSpider 2D Image | (1s,2R,3S,4r,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexanaminium | C6H14NO5

(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexanaminium

  • Molecular FormulaC6H14NO5
  • Average mass180.178 Da
  • Monoisotopic mass180.086655 Da
  • ChemSpider ID26330868

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexanaminium [German] [ACD/IUPAC Name]
(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexanaminium [ACD/IUPAC Name]
(1s,2R,3S,4r,5R,6S)-2,3,4,5,6-Pentahydroxycyclohexanaminium [French] [ACD/IUPAC Name]
1,2,3,4,5-Cyclohexanepentol, 6-amino-, conjugate acid, (1α,2β,3α,4β,5α,6β)- [ACD/Index Name]
1-amino-1-deoxy-scyllo-inositol
1-ammonio-1-deoxy-scyllo-inositol
1-azaniumyl-1-deoxy-scyllo-inositol
  • Miscellaneous

    • Chemical Class:

      The conjugate acid of 1-amino-1-deoxy-scyllo-inositol arising from protonation of the primary amino group. ChEBI CHEBI:57671

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

Density:
Boiling Point: 334.4±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.9±6.0 kJ/mol
Flash Point: 156.1±27.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 6
#H bond donors: 7
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: -1.75
ACD/LogD (pH 5.5): -5.47
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 129 Å2
Polarizability:
Surface Tension:
Molar Volume:

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