ChemSpider 2D Image | (1,1,1,3,3,3-~2~H_6_)-2-Propanyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate ( non-preferred name) | C22H23D6FN3O9P

(1,1,1,3,3,3-2H6)-2-Propanyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate ( non-preferred name)

  • Molecular FormulaC22H23D6FN3O9P
  • Average mass535.490 Da
  • Monoisotopic mass535.200195 Da
  • ChemSpider ID44208840

  • defined stereocentres - 6 of 6 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1,1,1,3,3,3-2H6)-2-Propanyl (2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate ( non-preferred name) [ACD/IUPAC Name]
(1,1,1,3,3,3-2H6)-2-Propanyl-(2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluor-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (no n-preferred name) [German] [ACD/IUPAC Name]
(2S)-2-{[(S)-{[(2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-4-fluoro-3-hydroxy-4-méthyltétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de (1,1,1,3,3,3-2H6)-2-propany 
le (non-preferred name) [French] [ACD/IUPAC Name]
Uridine, 2'-deoxy-2'-fluoro-2'-methyl-5'-O-[(S)-[[(1S)-1-methyl-2-[[1-(methyl-d3)ethyl-2,2,2-d3]oxy]-2-oxoethyl]amino]phenoxyphosphinyl]- [ACD/Index Name]
1,1,1,3,3,3-hexadeuteriopropan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
1190307-88-0 [RN]
1868135-06-1 [RN]
GS-7977 D6
Sofosbuvir D6
T12955
More...

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: 1.573
Molar Refractivity: 123.5±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.62
ACD/LogD (pH 5.5): 0.72
ACD/BCF (pH 5.5): 2.07
ACD/KOC (pH 5.5): 58.64
ACD/LogD (pH 7.4): 0.71
ACD/BCF (pH 7.4): 2.05
ACD/KOC (pH 7.4): 58.01
Polar Surface Area: 163 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 58.7±5.0 dyne/cm
Molar Volume: 374.6±5.0 cm3

Click to predict properties on the Chemicalize site


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