ChemSpider 2D Image | [(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate | C19H25N4O12P

[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxy-tetrahydrofuran-2-yl]methyl [(2R,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-pyrimidin-1-yl)tetrahydrofuran-3-yl] hydrogen phosphate

  • Molecular FormulaC19H25N4O12P
  • Average mass532.395 Da
  • Monoisotopic mass532.120667 Da
  • ChemSpider ID145355

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

10318-59-9 [RN]
2'-Deoxyuridylyl-(5'-3')thymidine
dTpdU
Thymidine, 2'-deoxyuridylyl-(5'-3')-
thymidylyl-(3/'-5/')deoxyuridine
Thymidylyl-(3'-5')deoxyuridine

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

Density: 1.7±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.657
Molar Refractivity: 115.2±0.4 cm3
#H bond acceptors: 16
#H bond donors: 5
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: -3.79
ACD/LogD (pH 5.5): -7.33
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -7.42
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 223 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 90.8±5.0 dyne/cm
Molar Volume: 312.9±5.0 cm3

Click to predict properties on the Chemicalize site


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