ChemSpider 2D Image | Methyl (2R)-2-{[{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate | C20H25N6O8P

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

  • Molecular FormulaC20H25N6O8P
  • Average mass508.422 Da
  • Monoisotopic mass508.147156 Da
  • ChemSpider ID399157
  • defined stereocentres - 4 of 5 defined stereocentres


More details:






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

(2R)-2-{[{[(2S,3S,5R)-3-Azido-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}(phénoxy)phosphoryl]amino}propanoate de méthyle [French] [ACD/IUPAC Name]
Methyl (2R)-2-{[{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoate [ACD/IUPAC Name]
Methyl-(2R)-2-{[{[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(phenoxy)phosphoryl]amino}propanoat [German] [ACD/IUPAC Name]
Thymidine, 3'-azido-3'-deoxy-5'-O-[[[(1R)-2-methoxy-1-methyl-2-oxoethyl]amino]phenoxyphosphinyl]- [ACD/Index Name]
3'-Azidothymidine-5'-[phenyl-(methyl-D-alaninyl)]phosphoroamidate

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

AIDS086540 [DBID]
AIDS-086540 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 14
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.04
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 3.46
ACD/KOC (pH 5.5): 84.60
ACD/LogD (pH 7.4): 1.01
ACD/BCF (pH 7.4): 3.43
ACD/KOC (pH 7.4): 84.02
Polar Surface Area: 155 Å2
Polarizability:
Surface Tension:
Molar Volume:

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