ChemSpider 2D Image | 1-{2-Deoxy-5-O-(2,2-dimethylpropanoyl)-3-O-[(1-methyl-1,4-dihydro-3-pyridinyl)carbonyl]-D-erythro-pentofuranosyl}-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione | C22H26F3N3O7

1-{2-Deoxy-5-O-(2,2-dimethylpropanoyl)-3-O-[(1-methyl-1,4-dihydro-3-pyridinyl)carbonyl]-D-erythro-pentofuranosyl}-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione

  • Molecular FormulaC22H26F3N3O7
  • Average mass501.453 Da
  • Monoisotopic mass501.172272 Da
  • ChemSpider ID166351

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

1-{2-Deoxy-5-O-(2,2-dimethylpropanoyl)-3-O-[(1-methyl-1,4-dihydro-3-pyridinyl)carbonyl]-D-erythro-pentofuranosyl}-5-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione [ACD/IUPAC Name]
1-{2-Desoxy-5-O-(2,2-dimethylpropanoyl)-3-O-[(1-methyl-1,4-dihydro-3-pyridinyl)carbonyl]-D-erythro-pentofuranosyl}-5-(trifluormethyl)-2,4(1H,3H)-pyrimidindion [German] [ACD/IUPAC Name]
1-{2-Désoxy-5-O-(2,2-diméthylpropanoyl)-3-O-[(1-méthyl-1,4-dihydro-3-pyridinyl)carbonyl]-D-érythro-pentofuranosyl}-5-(trifluorométhyl)-2,4(1H,3H)-pyrimidinedione [French] [ACD/IUPAC Name]
2,4(1H,3H)-Pyrimidinedione, 1-[2-deoxy-3-O-[(1,4-dihydro-1-methyl-3-pyridinyl)carbonyl]-5-O-(2,2-dimethyl-1-oxopropyl)-D-erythro-pentofuranosyl]-5-(trifluoromethyl)- [ACD/Index Name]
104987-44-2 [RN]
3'-(N-methyl-1,4-nicotinoyl)-5'-pivaloyltrifluorothymidine
DHTFT
Thymidine, α,α,α-trifluoro-, 3'-(1,4-dihydro-1-methyl-3-pyridinecarboxylate) 5'-(2,2-dimethylpropanoate)

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.556
Molar Refractivity: 114.5±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 1.46
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.19
ACD/KOC (pH 5.5): 268.91
ACD/LogD (pH 7.4): 1.86
ACD/BCF (pH 7.4): 14.07
ACD/KOC (pH 7.4): 207.99
Polar Surface Area: 114 Å2
Polarizability: 45.4±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 356.4±5.0 cm3

Click to predict properties on the Chemicalize site


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