ChemSpider 2D Image | 1-[(3xi)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)-beta-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C9H16N3O13P3

1-[(3ξ)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)-β-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H16N3O13P3
  • Average mass467.157 Da
  • Monoisotopic mass466.989594 Da
  • ChemSpider ID57426661

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-[(3ξ)-2-Deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)-β-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)-β-D-glycero-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-2-Désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl)-β-D-glycéro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]amino]phosphinyl]-β-D-glycero-pentofuranosyl]- [ACD/Index Name]
170428-86-1 [RN]
dUMPNPP
dUpNHpp

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

Density: 2.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.627
Molar Refractivity: 83.5±0.3 cm3
#H bond acceptors: 16
#H bond donors: 7
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: -6.52
ACD/LogD (pH 5.5): -12.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -13.08
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 271 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 112.4±3.0 dyne/cm
Molar Volume: 235.3±3.0 cm3

Click to predict properties on the Chemicalize site


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