ChemSpider 2D Image | 3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-3H-imidazo[2,1-f]purine | C12H16N5O13P3

3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-3H-imidazo[2,1-f]purine

  • Molecular FormulaC12H16N5O13P3
  • Average mass531.202 Da
  • Monoisotopic mass530.995728 Da
  • ChemSpider ID60959539

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-3H-imidazo[2,1-f]purin [German] [ACD/IUPAC Name]
3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-3H-imidazo[2,1-f]purine [ACD/IUPAC Name]
3-[5-O-(Hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-D-ribofuranosyl]-3H-imidazo[2,1-f]purine [French] [ACD/IUPAC Name]
3H-Imidazo[2,1-f]purine, 3-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-D-ribofuranosyl]- [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: 983.3±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 150.2±3.0 kJ/mol
Flash Point: 548.5±37.1 °C
Index of Refraction: 1.911
Molar Refractivity: 98.5±0.5 cm3
#H bond acceptors: 18
#H bond donors: 6
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -4.70
ACD/LogD (pH 5.5): -10.07
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -10.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 285 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 181.3±7.0 dyne/cm
Molar Volume: 210.0±7.0 cm3

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