U3H

3'-DEOXY-URIDINE 5'-TRIPHOSPHATE

Created:2002-10-29
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count45
Chiral Atom Count6
Bond Count46
Aromatic Bond Count0
2D diagram of U3H

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Chemical Component Summary

Name3'-DEOXY-URIDINE 5'-TRIPHOSPHATE
Systematic Name (OpenEye OEToolkits)[(2S,4R,5R)-4-hydroxy-5-(2-hydroxy-4-oxo-2,3-dihydropyrimidin-1-yl)oxolan-2-yl]methyl (hydroxy-phosphonooxy-phosphoryl) hydrogen phosphate
FormulaC9 H17 N2 O14 P3
Molecular Weight470.158
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C=CC(=O)NC1O)C(O)C2
SMILESCACTVS3.341O[CH]1C[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[CH]1N2C=CC(=O)N[CH]2O
SMILESOpenEye OEToolkits1.5.0C1C(OC(C1O)N2C=CC(=O)NC2O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O
Canonical SMILESCACTVS3.341 O[C@@H]1C[C@@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)O[C@H]1N2C=CC(=O)N[C@H]2O
Canonical SMILESOpenEye OEToolkits1.5.0 C1[C@H](O[C@H]([C@@H]1O)N2C=CC(=O)NC2O)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O
InChIInChI1.03 InChI=1S/C9H17N2O14P3/c12-6-3-5(23-8(6)11-2-1-7(13)10-9(11)14)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8-9,12,14H,3-4H2,(H,10,13)(H,18,19)(H,20,21)(H2,15,16,17)/t5-,6+,8+,9+/m0/s1
InChIKeyInChI1.03 CVEDUOUYNXHQBA-HIORRCEOSA-N

Related Resource References

Resource NameReference
PubChem 49867782