chempirical

5-Chlorouridine

C9H11ClN2O6CAS 2880-89-9278.64 g/mol

Open in Covalent MOL file
ONHONOOHHOOHCl
AlcoholAryl halideEther

Properties

Molecular formula
C9H11ClN2O6
Molar mass
278.64 g/mol
Exact mass
278.0306 Da
logP
-2.20Crippen estimate
Polar surface area
124.8 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
2
Stereocentres
R, R, S, 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
2880-89-9
SMILES
C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Cl
InChIKey
LDCUBKKZHSYQTJ-UAKXSSHOSA-N
InChI
InChI=1S/C9H11ClN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)/t4-,5-,6-,8-/m1/s1

Weigh it out

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

Work with 5-Chlorouridine

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

5-Ethynyl uridine69075-42-967 % similar L-Uridine26287-69-459 % similar 2'-Fluorothymidine122799-38-657 % similar 2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-752 % similar 2'-Chloro-2'-deoxyuridine4753-04-249 % similar N1-Ethylpseudouridine1613529-72-848 % similar 2-Thiouridine20235-78-348 % similar N1-Benzyl pseudouridine1613530-22-547 % similar

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

Elsewhere

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