5-Chloro-2′-deoxyuridine

C₉H₁₁ClN₂O₅CAS 50-90-8262.65 g/mol

Open in Covalent MOL file

Alcohol Aryl halide Ether Phenol

Properties

Molecular formula: C₉H₁₁ClN₂O₅
Molar mass: 262.65 g/mol
Exact mass: 262.0356 Da
Melting point: 174–178 °C (decomposes)
logP: -0.76Crippen estimate
Polar surface area: 104.8 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2
Stereocentres: R, S, Rin SMILES atom order

Identifiers

CAS number

50-90-8

SMILES

O=c1nc(O)c(Cl)cn1[C@H]1C[C@H](O)[C@@H](CO)O1

InChIKey

NJCXGFKPQSFZIB-RRKCRQDMSA-N

InChI

InChI=1S/C9H11ClN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6+,7+/m0/s1

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

Names and synonyms

4 names

Uridine, 5-chloro-2′-deoxy-
5-Chlorodeoxyuridine
2′-Deoxy-5-chlorouridine
Chlorodeoxyuridine

Work with 5-Chloro-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

Bromodeoxyuridine59-14-376 % similar Telbivudine3424-98-474 % similar Thymidine50-89-574 % similar Floxuridine50-91-973 % similar 5-Hydroxymethyl-2′-deoxyuridine5116-24-573 % similar 5-Iodo-2′-deoxyuridine54-42-273 % similar Edoxudine15176-29-170 % similar 5-Ethynyl-2'-deoxyuridine61135-33-969 % similar

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

Elsewhere

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