DUQ

(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide

Created:2011-02-04
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count69
Chiral Atom Count1
Bond Count72
Aromatic Bond Count18
2D diagram of DUQ

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Chemical Component Summary

Name(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide
Synonyms5'-TRITYLATED DEOXYURIDINE ANALOGUE
Systematic Name (OpenEye OEToolkits)(2S)-2-[(2,4-dioxopyrimidin-1-yl)methyl]-N-(2-hydroxyethyl)-4-trityloxy-butanamide
FormulaC30 H31 N3 O5
Molecular Weight513.584
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.352OCCNC(=O)[CH](CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)CN4C=CC(=O)NC4=O
SMILESOpenEye OEToolkits1.6.1c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCCC(CN4C=CC(=O)NC4=O)C(=O)NCCO
Canonical SMILESCACTVS3.352 OCCNC(=O)[C@@H](CCOC(c1ccccc1)(c2ccccc2)c3ccccc3)CN4C=CC(=O)NC4=O
Canonical SMILESOpenEye OEToolkits1.6.1 c1ccc(cc1)C(c2ccccc2)(c3ccccc3)OCC[C@@H](CN4C=CC(=O)NC4=O)C(=O)NCCO
InChIInChI1.03 InChI=1S/C30H31N3O5/c34-20-18-31-28(36)23(22-33-19-16-27(35)32-29(33)37)17-21-38-30(24-10-4-1-5-11-24,25-12-6-2-7-13-25)26-14-8-3-9-15-26/h1-16,19,23,34H,17-18,20-22H2,(H,31,36)(H,32,35,37)/t23-/m0/s1
InChIKeyInChI1.03 POOIRAMVDDLAIT-QHCPKHFHSA-N

Related Resource References

Resource NameReference
PubChem 137349197