ChemSpider 2D Image | 5'-O-[{[{[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine | C20H30ClN4O13P3

5'-O-[{[{[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine

  • Molecular FormulaC20H30ClN4O13P3
  • Average mass662.846 Da
  • Monoisotopic mass662.071045 Da
  • ChemSpider ID111866

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

5'-O-[{[{[({4-[(2-Chlorethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidin [German] [ACD/IUPAC Name]
5'-O-[{[{[({4-[(2-Chloroethyl)(methyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine [ACD/IUPAC Name]
5'-O-[{[{[({4-[(2-Chloroéthyl)(méthyl)amino]benzyl}amino)(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]thymidine [French] [ACD/IUPAC Name]
Thymidine, 5'-O-[[[[[[[[4-[(2-chloroethyl)methylamino]phenyl]methyl]amino]hydroxyphosphinyl]oxy]hydroxyphosphinyl]oxy]hydroxyphosphinyl]- [ACD/Index Name]
4-(N-(2-Chloroethyl)-N-methylamino)benzyl-γ-amide dttp
69564-70-1 [RN]
Cemabga-dttp
Dttp γ-4-(N-2-chloroethyl-N-methylamino)benzylamidate
Thymidine 5'-(trihydrogen diphosphate) P'-anhydride with ((4-((2-chloroethyl)methylamino)phenyl)methyl)phosphoramidic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.614
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 17
#H bond donors: 6
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 3
ACD/LogP: -3.18
ACD/LogD (pH 5.5): -9.25
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -9.58
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 263 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 77.8±3.0 dyne/cm
Molar Volume: 405.2±3.0 cm3

Click to predict properties on the Chemicalize site


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