ChemSpider 2D Image | Methyl (2S)-2-{[{[(2R,3R,4S,5R)-2-azido-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate | C19H23N6O10P

Methyl (2S)-2-{[{[(2R,3R,4S,5R)-2-azido-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate

  • Molecular FormulaC19H23N6O10P
  • Average mass526.394 Da
  • Monoisotopic mass526.121338 Da
  • ChemSpider ID23280946

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(2S)-2-{[{[(2R,3R,4S,5R)-2-Azido-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2S)-2-{[{[(2R,3R,4S,5R)-2-azido-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate [ACD/IUPAC Name]
methyl (2S)-2-{[{[(2R,3R,4S,5R)-2-azido-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(phenoxy)phosphoryl]amino}propanoate (non-preferred name)
Methyl-(2S)-2-{[{[(2R,3R,4S,5R)-2-azido-5-(2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)-3,4-dihydroxytetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat [German] [ACD/IUPAC Name]
4'-azidouridine 5'-O-[phenyl(methyloxy-L-alaninyl)]phosphate (methyl N-[{1-(2R,3S,4R,5R)-5-azido-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidine-2,4-(1H,3H)-dione}
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL374860/

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 16
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.15
ACD/LogD (pH 5.5): -0.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 22.85
ACD/LogD (pH 7.4): -0.04
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 22.57
Polar Surface Area: 195 Å2
Polarizability:
Surface Tension:
Molar Volume:

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