ChemSpider 2D Image | Triphosphoric acid, mono[(2S,3S)-3-(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] ester, ion(4-) | C9H12N5O13P3

Triphosphoric acid, mono[(2S,3S)-3-(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] ester, ion(4-)

  • Molecular FormulaC9H12N5O13P3
  • Average mass491.141 Da
  • Monoisotopic mass490.966644 Da
  • ChemSpider ID26332149

  • Charge - Charge

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[(2S,3S)-3-(2-amino-3,4,7,8-tetrahydro-4-oxo-6-pteridinyl)-2,3-dihydroxypropyl] ester, ion(4-) [ACD/Index Name]
(2S,3S)-3-(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)-2,3-dihydroxypropyl triphosphate
6-(L-threo-1',2',3'-trihydroxypropyl)-7,8-dihydropterin-3'-triphosphate
7,8-dihydromonapterin 3'-triphosphate
7,8-dihydromonapterin 3-triphosphate(4-)
7,8-dihydromonapterin triphosphate
  • Miscellaneous

    • Chemical Class:

      The organophosphate oxoanion that is the tetraanion of 7,8-dihydromonapterin 3-triphosphate; the major species at pH 7.3. ChEBI CHEBI:61186

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 18
#H bond donors: 10
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -6.87
ACD/LogD (pH 5.5): -11.73
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.37
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 333 Å2
Polarizability:
Surface Tension:
Molar Volume:

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