ChemSpider 2D Image | Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) | C22H29ClN3O9P

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

  • Molecular FormulaC22H29ClN3O9P
  • Average mass545.907 Da
  • Monoisotopic mass545.132996 Da
  • ChemSpider ID57579466

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-{[{[(2R,3R,4R,5R)-4-Chloro-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-4-méthyltétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate d'isopropyle (non-preferred name) [French] [ACD/IUPAC Name]
Isopropyl (2S)-2-{[{[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name) [ACD/IUPAC Name]
Isopropyl-(2S)-2-{[{[(2R,3R,4R,5R)-4-chlor-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3-hydroxy-4-methyltetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat (non-preferred name) [German] [ACD/IUPAC Name]
Uridine, 2'-chloro-2'-deoxy-2'-methyl-5'-O-[[[(1S)-1-methyl-2-(1-methylethoxy)-2-oxoethyl]amino]phenoxyphosphinyl]- [ACD/Index Name]
1496552-51-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4460186/
Propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-4-chloro-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate
Sofosbuvir impurity K

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: 1.588
Molar Refractivity: 128.2±0.4 cm3
#H bond acceptors: 12
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 0.89
ACD/BCF (pH 5.5): 2.79
ACD/KOC (pH 5.5): 72.60
ACD/LogD (pH 7.4): 0.88
ACD/BCF (pH 7.4): 2.76
ACD/KOC (pH 7.4): 71.82
Polar Surface Area: 163 Å2
Polarizability: 50.8±0.5 10-24cm3
Surface Tension: 61.4±5.0 dyne/cm
Molar Volume: 380.9±5.0 cm3

Click to predict properties on the Chemicalize site


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