2'-Chloro-2'-deoxyuridine

C9H11ClN2O5CAS 4753-04-2262.65 g/mol

Open in Covalent MOL file
NOHNOOHOOHCl
AlcoholAlkyl halideEther

Properties

Molecular formula
C9H11ClN2O5
Molar mass
262.65 g/mol
Exact mass
262.0356 Da
logP
-1.61Crippen estimate
Polar surface area
104.6 Ų
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.

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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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