Found 1 result

Search term: PJHIDXDTBKHLSW (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-(Cyanomethyl)-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione | C11H16N3O14P3

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

  • Molecular FormulaC11H16N3O14P3
  • Average mass507.178 Da
  • Monoisotopic mass506.984497 Da
  • ChemSpider ID57492268

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-(cyanomethyl)-1-[2-deoxy-5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-L-erythro-pentofuranosyl]- [ACD/Index Name]
5-(Cyanmethyl)-1-[2-desoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-(Cyanomethyl)-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-erythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-(Cyanométhyl)-1-[2-désoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-β-L-érythro-pentofuranosyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
919360-76-2 [RN]

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

Density: 1.9±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.611
Molar Refractivity: 90.8±0.3 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: -5.99
ACD/LogD (pH 5.5): -12.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 292 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 108.1±3.0 dyne/cm
Molar Volume: 261.8±3.0 cm3

Click to predict properties on the Chemicalize site


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