chempirical

5-Ethynyl-2'-deoxyuridine

C11H12N2O5CAS 61135-33-9252.23 g/mol

Open in Covalent MOL file
NOHOHOONHO
AlcoholAlkyneEtherPhenol

Properties

Molecular formula
C11H12N2O5
Molar mass
252.23 g/mol
Exact mass
252.0746 Da
Melting point
178–180 °C (decomposes)
logP
-1.43Crippen estimate
Polar surface area
104.8 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Identifiers

CAS number
61135-33-9
SMILES
C#Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)nc1O
InChIKey
CDEURGJCGCHYFH-DJLDLDEBSA-N
InChI
InChI=1S/C11H12N2O5/c1-2-6-4-13(11(17)12-10(6)16)9-3-7(15)8(5-14)18-9/h1,4,7-9,14-15H,3,5H2,(H,12,16,17)/t7-,8+,9+/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • Uridine, 2′-deoxy-5-ethynyl-
  • 2′-Deoxy-5-ethynyluridine
  • 5-Ethynyl-2′-deoxyuridine
  • 5: PN: WO2006117161 FIGURE: 10 claimed sequence
  • EdU

Work with 5-Ethynyl-2'-deoxyuridine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Telbivudine3424-98-470 % similar Thymidine50-89-570 % similar 5-Chloro-2′-deoxyuridine50-90-869 % similar Floxuridine50-91-969 % similar 5-Hydroxymethyl-2′-deoxyuridine5116-24-569 % similar 5-Iodo-2′-deoxyuridine54-42-269 % similar Bromodeoxyuridine59-14-369 % similar Brivudine69304-47-867 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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