ChemSpider 2D Image | 2'-(2-Propyn-1-yl)thymidine 5'-(dihydrogen phosphate) | C13H17N2O8P

2'-(2-Propyn-1-yl)thymidine 5'-(dihydrogen phosphate)

  • Molecular FormulaC13H17N2O8P
  • Average mass360.256 Da
  • Monoisotopic mass360.072266 Da
  • ChemSpider ID58806479

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2'-(2-Propin-1-yl)thymidin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
2'-(2-Propyn-1-yl)thymidine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
2'-(2-Propyn-1-yl)thymidine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Thymidine, 2'-(2-propyn-1-yl)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
((2R,3S,4R,5R)-3-Hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-(prop-2-yn-1-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
474237-09-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.583
Molar Refractivity: 77.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -5.45
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.40
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 155 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 70.8±3.0 dyne/cm
Molar Volume: 232.6±3.0 cm3

Click to predict properties on the Chemicalize site


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