ChemSpider 2D Image | 1-(2-Deoxy-alpha-D-threo-pentofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione | C9H11FN2O5

1-(2-Deoxy-α-D-threo-pentofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H11FN2O5
  • Average mass246.192 Da
  • Monoisotopic mass246.065201 Da
  • ChemSpider ID21469484

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-(2-Deoxy-α-D-threo-pentofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-(2-Desoxy-α-D-threo-pentofuranosyl)-5-fluor-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-(2-Désoxy-α-D-thréo-pentofuranosyl)-5-fluoro-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-(2-deoxy-α-D-threo-pentofuranosyl)-5-fluoro- [ACD/Index Name]
1-[(2S,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-1,3-dihydropyri midine-2,4-dione
200-072-5 [EINECS]
50-91-9 [RN]
5-FDU
5-Fluoro-2'-deoxyuridine
5-Fluoro-2-deoxyuridine
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

MFCD00006530 [DBID]

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: 1.609
Molar Refractivity: 51.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.43
ACD/LogD (pH 5.5): -1.32
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.53
ACD/LogD (pH 7.4): -1.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.79
Polar Surface Area: 99 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 72.4±5.0 dyne/cm
Molar Volume: 150.0±5.0 cm3

Click to predict properties on the Chemicalize site


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