DUA

2',5'-dideoxy-5'-(tritylamino)uridine

Created:2011-08-18
Last modified:  2012-08-24

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Chemical Details

Formal Charge0
Atom Count62
Chiral Atom Count3
Bond Count66
Aromatic Bond Count18
2D diagram of DUA

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Chemical Component Summary

Name2',5'-dideoxy-5'-(tritylamino)uridine
Systematic Name (OpenEye OEToolkits)1-[(2R,4S,5R)-4-oxidanyl-5-[[(triphenylmethyl)amino]methyl]oxolan-2-yl]pyrimidine-2,4-dione
FormulaC28 H27 N3 O4
Molecular Weight469.532
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CNC(c3ccccc3)(c4ccccc4)c5ccccc5
SMILESCACTVS3.370O[CH]1C[CH](O[CH]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O
SMILESOpenEye OEToolkits1.7.2c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NCC4C(CC(O4)N5C=CC(=O)NC5=O)O
Canonical SMILESCACTVS3.370 O[C@H]1C[C@@H](O[C@@H]1CNC(c2ccccc2)(c3ccccc3)c4ccccc4)N5C=CC(=O)NC5=O
Canonical SMILESOpenEye OEToolkits1.7.2 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)NC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=O)NC5=O)O
InChIInChI1.03 InChI=1S/C28H27N3O4/c32-23-18-26(31-17-16-25(33)30-27(31)34)35-24(23)19-29-28(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-17,23-24,26,29,32H,18-19H2,(H,30,33,34)/t23-,24+,26+/m0/s1
InChIKeyInChI1.03 TUZNCXRMWDUVNX-BFLUCZKCSA-N

Related Resource References

Resource NameReference
PubChem 11431328
ChEMBL CHEMBL377582