ChemSpider 2D Image | Diphosphoric acid, mono[[5-(aminomethyl)-3-furanyl]methyl] ester, inner salt, ion(2-) | C6H9NO8P2

Diphosphoric acid, mono[[5-(aminomethyl)-3-furanyl]methyl] ester, inner salt, ion(2-)

  • Molecular FormulaC6H9NO8P2
  • Average mass285.086 Da
  • Monoisotopic mass284.981445 Da
  • ChemSpider ID58163965

  • Charge - Charge

More details:

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

Diphosphoric acid, mono[[5-(aminomethyl)-3-furanyl]methyl] ester, inner salt, ion(2-) [ACD/Index Name]
[5-(aminomethyl)furan-3-yl]methyl diphosphate
[5-(ammoniomethyl)-3-furyl]methyl diphosphate(2-)
  • Miscellaneous

    • Chemical Class:

      An organophosphate oxoanion obtained by deprotonation of the diphosphate OH groups and protonation of the amino group of [5-(aminomethyl)-3-furyl]methyl diphosphate; major species at pH 7.3. ChEBI CHEBI:88054

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

Density:
Boiling Point: 534.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.3±3.0 kJ/mol
Flash Point: 276.7±32.9 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -3.03
ACD/LogD (pH 5.5): -7.09
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability:
Surface Tension:
Molar Volume:

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