ChemSpider 2D Image | 3'-Deoxy-3'-(2-propyn-1-yl)thymidine 5'-(dihydrogen phosphate) | C13H17N2O7P

3'-Deoxy-3'-(2-propyn-1-yl)thymidine 5'-(dihydrogen phosphate)

  • Molecular FormulaC13H17N2O7P
  • Average mass344.257 Da
  • Monoisotopic mass344.077332 Da
  • ChemSpider ID57541644

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

3'-Deoxy-3'-(2-propyn-1-yl)thymidine 5'-(dihydrogen phosphate) [ACD/IUPAC Name]
3'-Desoxy-3'-(2-propin-1-yl)thymidin5'-(dihydrogenphosphat) [German] [ACD/IUPAC Name]
3'-Désoxy-3'-(2-propyn-1-yl)thymidine-5'-(dihydrogène phosphate) [French] [ACD/IUPAC Name]
Thymidine, 3'-deoxy-3'-(2-propyn-1-yl)-, 5'-(dihydrogen phosphate) [ACD/Index Name]
((2S,3S,5R)-5-(5-Methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-(prop-2-yn-1-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
3'-Deoxy-3'-prop-2-yn-1-ylthymidine 5'-(dihydrogen phosphate)
663615-81-4 [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: 1.560
Molar Refractivity: 76.2±0.3 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: -0.85
ACD/LogD (pH 5.5): -5.03
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.97
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 135 Å2
Polarizability: 30.2±0.5 10-24cm3
Surface Tension: 61.5±3.0 dyne/cm
Molar Volume: 235.7±3.0 cm3

Click to predict properties on the Chemicalize site


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