ChemSpider 2D Image | Triphosphoric acid, mono[[(2S,5R)-5-(4,5-diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methyl] ester | C10H16N5O11P3S

Triphosphoric acid, mono[[(2S,5R)-5-(4,5-diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methyl] ester

  • Molecular FormulaC10H16N5O11P3S
  • Average mass507.247 Da
  • Monoisotopic mass506.977997 Da
  • ChemSpider ID8454497

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Triphosphoric acid, mono[[(2S,5R)-5-(4,5-diamino-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-1,3-oxathiolan-2-yl]methyl] ester [ACD/Index Name]

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

Density: 2.5±0.1 g/cm3
Boiling Point: 914.4±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.3±3.0 kJ/mol
Flash Point: 506.8±37.1 °C
Index of Refraction: 1.895
Molar Refractivity: 94.8±0.5 cm3
#H bond acceptors: 16
#H bond donors: 8
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.67
ACD/LogD (pH 5.5): -9.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.87
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 307 Å2
Polarizability: 37.6±0.5 10-24cm3
Surface Tension: 177.9±7.0 dyne/cm
Molar Volume: 204.5±7.0 cm3

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