ChemSpider 2D Image | 1-[(3xi)-2-Deoxy-5-O-phosphono-beta-L-glycero-pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione | C11H17N2O8P

1-[(3ξ)-2-Deoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC11H17N2O8P
  • Average mass336.235 Da
  • Monoisotopic mass336.072266 Da
  • ChemSpider ID57491543

  • 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-phosphono-β-L-glycero-pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Desoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-ethyl-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-[(3ξ)-2-Désoxy-5-O-phosphono-β-L-glycéro-pentofuranosyl]-5-éthyl-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-5-O-phosphono-β-L-glycero-pentofuranosyl]-5-ethyl- [ACD/Index Name]
56576-83-1 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.579
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -1.07
ACD/LogD (pH 5.5): -5.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.55
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 71.4±3.0 dyne/cm
Molar Volume: 212.4±3.0 cm3

Click to predict properties on the Chemicalize site


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