ChemSpider 2D Image | 4-Amino-1-[(3xi)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-glycero-pentofuranosyl]-1,3,5-triazin-2(1H)-one | C8H15N4O13P3

4-Amino-1-[(3ξ)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-1,3,5-triazin-2(1H)-one

  • Molecular FormulaC8H15N4O13P3
  • Average mass468.145 Da
  • Monoisotopic mass467.984833 Da
  • ChemSpider ID95498218

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1,3,5-Triazin-2(1H)-one, 4-amino-1-[(3ξ)-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
4-Amino-1-[(3ξ)-2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-1,3,5-triazin-2(1H)-one [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycero-pentofuranosyl]-1,3,5-triazin-2(1H)-on [German] [ACD/IUPAC Name]
4-Amino-1-[(3ξ)-2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-D-glycéro-pentofuranosyl]-1,3,5-triazin-2(1H)-one [French] [ACD/IUPAC 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: 803.2±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±6.5 mmHg at 25°C
Enthalpy of Vaporization: 133.0±6.0 kJ/mol
Flash Point: 439.6±37.1 °C
Index of Refraction: 1.819
Molar Refractivity: 80.1±0.5 cm3
#H bond acceptors: 17
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -6.38
ACD/LogD (pH 5.5): -12.59
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.12
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 290 Å2
Polarizability: 31.7±0.5 10-24cm3
Surface Tension: 184.8±7.0 dyne/cm
Molar Volume: 184.1±7.0 cm3

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