ChemSpider 2D Image | 1-[5-O-(Amino{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-C-azido-2-deoxy-beta-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione | C10H17N6O13P3

1-[5-O-(Amino{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-C-azido-2-deoxy-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC10H17N6O13P3
  • Average mass522.196 Da
  • Monoisotopic mass522.006653 Da
  • ChemSpider ID68024358

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

1-[5-O-(Amino{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-C-azido-2-deoxy-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[5-O-(Amino{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-C-azido-2-desoxy-β-L-erythro-pentofuranosyl]-5-methyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[5-O-(Amino{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-3-C-azido-2-désoxy-β-L-érythro-pentofuranosyl]-5-méthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[5-O-[amino[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-3-C-azido-2-deoxy-β-L-erythro-pentofuranosyl]-5-methyl- [ACD/Index Name]

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 7
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: -4.72
ACD/LogD (pH 5.5): -9.87
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: 286 Å2
Polarizability:
Surface Tension:
Molar Volume:

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