ChemSpider 2D Image | 5-Fluoro-1-[(3R,4R)-4-hydroxy-1-{[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl}-3-pyrrolidinyl]-2,4(1H,3H)-pyrimidinedione | C19H20FN5O5

5-Fluoro-1-[(3R,4R)-4-hydroxy-1-{[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl}-3-pyrrolidinyl]-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC19H20FN5O5
  • Average mass417.391 Da
  • Monoisotopic mass417.144836 Da
  • ChemSpider ID68728025

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-[(3R,4R)-4-hydroxy-1-[2-[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl]-3-pyrrolidinyl]- [ACD/Index Name]
5-Fluor-1-[(3R,4R)-4-hydroxy-1-{[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl}-3-pyrrolidinyl]-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
5-Fluoro-1-[(3R,4R)-4-hydroxy-1-{[(6-methyl-1H-benzimidazol-2-yl)methoxy]acetyl}-3-pyrrolidinyl]-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
5-Fluoro-1-[(3R,4R)-4-hydroxy-1-{2-[(6-méthyl-1H-benzimidazol-2-yl)méthoxy]acétyl}-3-pyrrolidinyl]-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]

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: 1.688
Molar Refractivity: 102.3±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -0.88
ACD/LogD (pH 5.5): -0.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.62
ACD/LogD (pH 7.4): -0.53
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 10.51
Polar Surface Area: 128 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 82.2±5.0 dyne/cm
Molar Volume: 268.4±5.0 cm3

Click to predict properties on the Chemicalize site


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