ChemSpider 2D Image | 1-[(3xi)-2-Deoxy-2-fluoro-beta-D-threo-pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione | C9H10FIN2O5

1-[(3ξ)-2-Deoxy-2-fluoro-β-D-threo-pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC9H10FIN2O5
  • Average mass372.089 Da
  • Monoisotopic mass371.961823 Da
  • ChemSpider ID21430871
  • defined stereocentres - 3 of 4 defined stereocentres


More details:






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

1-[(3ξ)-2-Deoxy-2-fluoro-β-D-threo-pentofuranosyl]-5-iodo-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-[(3ξ)-2-Desoxy-2-fluor-β-D-threo-pentofuranosyl]-5-iod-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
2(1H)-pyrimidinone, 1-[(3ξ)-2-deoxy-2-fluoro-β-D-threo-pentofuranosyl]-4-hydroxy-5-iodo-
2,4(1H,3H)-Pyrimidinedione, 1-[(3ξ)-2-deoxy-2-fluoro-β-D-threo-pentofuranosyl]-5-iodo- [ACD/Index Name]
1-[(2R,3S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione
2-deoxy-2-fluoro-5-iodouridine
55612-21-0 [RN]
5-i-2’-f-u

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.4±0.1 g/cm3
Boiling Point: 541.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.3 mmHg at 25°C
Enthalpy of Vaporization: 94.2±6.0 kJ/mol
Flash Point: 281.2±32.9 °C
Index of Refraction: 1.770
Molar Refractivity: 63.3±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.80
ACD/LogD (pH 5.5): -2.08
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 103 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 77.1±7.0 dyne/cm
Molar Volume: 152.2±7.0 cm3

Click to predict properties on the Chemicalize site






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