ChemSpider 2D Image | Triphosphoric acid, mono[[(2R,5S)-tetrahydro-5-[4-(hydroxyamino)-2-oxo-1(2H)-pyrimidinyl]-2-furanyl]methyl] ester | C9H16N3O13P3

Triphosphoric acid, mono[[(2R,5S)-tetrahydro-5-[4-(hydroxyamino)-2-oxo-1(2H)-pyrimidinyl]-2-furanyl]methyl] ester

  • Molecular FormulaC9H16N3O13P3
  • Average mass467.157 Da
  • Monoisotopic mass466.989594 Da
  • ChemSpider ID24702771

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(2R,5S)-tetrahydro-5-[4-(hydroxyamino)-2-oxo-1(2H)-pyrimidinyl]-2-furanyl]methyl] ester [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL486918/

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

Density: 2.3±0.1 g/cm3
Boiling Point: 767.6±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.6 mmHg at 25°C
Enthalpy of Vaporization: 121.6±6.0 kJ/mol
Flash Point: 418.1±35.7 °C
Index of Refraction: 1.749
Molar Refractivity: 82.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: -5.73
ACD/LogD (pH 5.5): -12.12
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.96
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability: 32.8±0.5 10-24cm3
Surface Tension: 148.6±7.0 dyne/cm
Molar Volume: 203.5±7.0 cm3

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