ChemSpider 2D Image | 1-{3-Azido-2,3-dideoxy-5-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)methyl]-D-glycero-pentofuranosyl}-6-methyl-5-methylenedihydro-2,4(1H,3H)-pyrimidinedione | C12H20N5O13P3

1-{3-Azido-2,3-dideoxy-5-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)methyl]-D-glycero-pentofuranosyl}-6-methyl-5-methylenedihydro-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC12H20N5O13P3
  • Average mass535.234 Da
  • Monoisotopic mass535.027039 Da
  • ChemSpider ID23172376

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

1-{3-Azido-2,3-dideoxy-5-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)methyl]-D-glycero-pentofuranosyl}-6-methyl-5-methylenedihydro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{3-Azido-2,3-didesoxy-5-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)methyl]-D-glycero-pentofuranosyl}-6-methyl-5-methylendihydro-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{3-Azido-2,3-didésoxy-5-O-[(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)méthyl]-D-glycéro-pentofuranosyl}-6-méthyl-5-méthylènedihydro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[3-azido-2,3-dideoxy-5-O-[[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]methyl]-D-glycero-pentofuranosyl]dihydro-6-methyl-5-methylene- [ACD/Index Name]
β,gama-methylene AzddTPP

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: 18
#H bond donors: 5
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.32
ACD/LogD (pH 5.5): -10.89
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -11.57
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 260 Å2
Polarizability:
Surface Tension:
Molar Volume:

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