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

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

  • Molecular FormulaC20H25N6O8P
  • Average mass508.422 Da
  • Monoisotopic mass508.147156 Da
  • ChemSpider ID344809

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(2S)-2-{[{[3-Azido-5-(5-méthyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tétrahydro-2-furanyl]méthoxy}(hydroxy)phosphoryl]amino}-3-phénylpropanoate de méthyle [French] [ACD/IUPAC Name]
(S)-2-{[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydrofuran-2-ylmethoxy]-hydroxyphosphorylamino}-3-phenylpropionic acid methyl ester
Methyl (2S)-2-{[{[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}-3-phenylpropanoate [ACD/IUPAC Name]
Methyl-(2S)-2-{[{[3-azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)tetrahydro-2-furanyl]methoxy}(hydroxy)phosphoryl]amino}-3-phenylpropanoat [German] [ACD/IUPAC Name]
(S)-2-{[3-Azido-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethoxy]-hydroxy-phosphorylamino}-3-phenyl-propionic acid methyl ester

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

NCI60_030400 [DBID]

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: 14
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 0.25
ACD/LogD (pH 5.5): -2.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 166 Å2
Polarizability:
Surface Tension:
Molar Volume:

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