5-Ethynyl uridine

C₁₁H₁₂N₂O₆CAS 69075-42-9268.22 g/mol

Open in Covalent MOL file

Alcohol Alkyne Ether

Properties

Molecular formula: C₁₁H₁₂N₂O₆
Molar mass: 268.22 g/mol
Exact mass: 268.0695 Da
logP: -2.87Crippen estimate
Polar surface area: 124.8 Å²
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

69075-42-9

SMILES

C#CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

InChIKey

QCWBIPKYTBFWHH-FDDDBJFASA-N

InChI

InChI=1S/C11H12N2O6/c1-2-5-3-13(11(18)12-9(5)17)10-8(16)7(15)6(4-14)19-10/h1,3,6-8,10,14-16H,4H2,(H,12,17,18)/t6-,7-,8-,10-/m1/s1

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Names and synonyms

1 names

5-Ethynyluridine

Work with 5-Ethynyl uridine

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-Chlorouridine2880-89-967 % similar L-Uridine26287-69-456 % similar 2'-Fluorothymidine122799-38-654 % similar 2'-O-(2-Methoxyethyl)-5-methyl-uridine163759-49-750 % similar N1-Ethylpseudouridine1613529-72-846 % similar 2-Thiouridine20235-78-346 % similar N1-Benzyl pseudouridine1613530-22-544 % similar 5-Iodouridine1024-99-344 % similar

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

Same formula

Nooglutyl112193-35-8

Elsewhere

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