2'-Chloro-2'-deoxyuridine

C₉H₁₁ClN₂O₅CAS 4753-04-2262.65 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₉H₁₁ClN₂O₅
Molar mass: 262.65 g/mol
Exact mass: 262.0356 Da
logP: -1.61Crippen estimate
Polar surface area: 104.6 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2
Stereocentres: R, R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

4753-04-2

SMILES

C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)Cl

InChIKey

XOTUXDQKWDTKSI-XVFCMESISA-N

InChI

InChI=1S/C9H11ClN2O5/c10-6-7(15)4(3-13)17-8(6)12-2-1-5(14)11-9(12)16/h1-2,4,6-8,13,15H,3H2,(H,11,14,16)/t4-,6-,7-,8-/m1/s1

Weigh it out

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

Work with 2'-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

L-Uridine26287-69-478 % similar 2'-Fluoro-2'-deoxyuridine784-71-472 % similar 3'-O-Methyluridine6038-59-166 % similar 2'-O-(2-Methoxyethyl)uridine223777-15-964 % similar 2-Thiouridine20235-78-358 % similar 3'-Deoxyuridine7057-27-458 % similar Urate oxidase9002-12-452 % similar 2',3'-Dideoxyuridine5983-09-551 % similar

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

Same formula

5-Chloro-2′-deoxyuridine50-90-8

Elsewhere

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