5-Chloro-2′-deoxyuridine

C9H11ClN2O5CAS 50-90-8262.65 g/mol

Open in Covalent MOL file
ONOHClNHOOHO
AlcoholAryl halideEtherPhenol

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 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, S, Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)Health Hazard (GHS08)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

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

Weigh it out

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

Names and synonyms

5 names
  • Uridine, 5-chloro-2′-deoxy-
  • 5-Chlorodeoxyuridine
  • 2′-Deoxy-5-chlorouridine
  • Chlorodeoxyuridine
  • 5-Chloro-2'-deoxyuridine

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 Edoxudin15176-29-170 % similar 5-Ethynyl-2′-deoxyuridine61135-33-969 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2'-Chloro-2'-deoxyuridine4753-04-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook