ChemSpider 2D Image | 2'-Deoxy-5-[(1E)-3-{[3-(methylsulfanyl)propanoyl]amino}-1-propen-1-yl]uridine 5'-(tetrahydrogen triphosphate) | C16H26N3O15P3S

2'-Deoxy-5-[(1E)-3-{[3-(methylsulfanyl)propanoyl]amino}-1-propen-1-yl]uridine 5'-(tetrahydrogen triphosphate)

  • Molecular FormulaC16H26N3O15P3S
  • Average mass625.375 Da
  • Monoisotopic mass625.029724 Da
  • ChemSpider ID4944310

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2'-Deoxy-5-[(1E)-3-{[3-(methylsulfanyl)propanoyl]amino}-1-propen-1-yl]uridine 5'-(tetrahydrogen triphosphate) [ACD/IUPAC Name]
2'-Desoxy-5-[(1E)-3-{[3-(methylsulfanyl)propanoyl]amino}-1-propen-1-yl]uridin5'-(tetrahydrogentriphosphat) [German] [ACD/IUPAC Name]
2'-Désoxy-5-[(1E)-3-{[3-(méthylsulfanyl)propanoyl]amino}-1-propén-1-yl]uridine-5'-(tétrahydrogène triphosphate) [French] [ACD/IUPAC Name]
Uridine, 2'-deoxy-5-[(1E)-3-[[3-(methylthio)-1-oxopropyl]amino]-1-propen-1-yl]-, 5'-(tetrahydrogen triphosphate) [ACD/Index Name]
106542-91-0 [RN]
5-(3-((3-(Methylthio)propionyl)amino)-1-propenyl)-2'-deoxyuridine-5'-triphosphate
MT-Dutp

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

Density: 1.8±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.643
Molar Refractivity: 127.5±0.3 cm3
#H bond acceptors: 18
#H bond donors: 7
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -5.78
ACD/LogD (pH 5.5): -11.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -12.20
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 323 Å2
Polarizability: 50.5±0.5 10-24cm3
Surface Tension: 97.6±3.0 dyne/cm
Molar Volume: 352.7±3.0 cm3

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