ChemSpider 2D Image | (1r,2R,3S,4s,5R,6S)-4-Ammonio-2,3,5,6-tetrahydroxycyclohexyl phosphate | C6H13NO8P

(1r,2R,3S,4s,5R,6S)-4-Ammonio-2,3,5,6-tetrahydroxycyclohexyl phosphate

  • Molecular FormulaC6H13NO8P
  • Average mass258.144 Da
  • Monoisotopic mass258.038422 Da
  • ChemSpider ID26331121

  • Charge - Charge

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1r,2R,3S,4s,5R,6S)-4-Ammonio-2,3,5,6-tetrahydroxycyclohexyl phosphate [ACD/IUPAC Name]
(1r,2R,3S,4s,5R,6S)-4-Ammonio-2,3,5,6-tetrahydroxycyclohexylphosphat [German] [ACD/IUPAC Name]
1,2,3,4,5-Cyclohexanepentol, 6-amino-, 3-(dihydrogen phosphate), inner salt, ion(1-), (1α,2β,3α,4β,5α,6β)- [ACD/Index Name]
Phosphate de (1r,2R,3S,4s,5R,6S)-4-ammonio-2,3,5,6-tétrahydroxycyclohexyle [French] [ACD/IUPAC Name]
1-amino-1-deoxy-scyllo-inositol 4-phosphate
1-ammonio-1-deoxy-scyllo-inositol 4-phosphate anion
1-ammonio-1-deoxy-scyllo-inositol 4-phosphate(1-)
1-azaniumyl-1-deoxy-scyllo-inositol 4- phosphate
  • Miscellaneous

    • Chemical Class:

      An inositol phosphate oxoanion that is the conjugate base of 1-amino-1-deoxy-scyllo-inositol 4-phosphate, arising from deprotonation of the phosphate OH groups and protonation of the amin; o group; ma jor species at pH 7.3. ChEBI CHEBI:58325
      An inositol phosphate oxoanion that is the conjugate base of 1-amino-1-deoxy-scyllo-inositol 4-phosphate, arising from deprotonation of the phosphate OH groups and protonation of the amino group; majo r species at pH 7.3. ChEBI CHEBI:58325

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

Density:
Boiling Point: 560.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 96.9±6.0 kJ/mol
Flash Point: 292.8±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 8
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: -1.79
ACD/LogD (pH 5.5): -5.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability:
Surface Tension:
Molar Volume:

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