N1-(1,1,1-Trifluoroethyl)pseudouridine

C₁₁H₁₃F₃N₂O₆CAS 1613529-80-8326.23 g/mol

Open in Covalent MOL file

Alcohol Alkyl halide Ether

Properties

Molecular formula: C₁₁H₁₃F₃N₂O₆
Molar mass: 326.23 g/mol
Exact mass: 326.0726 Da
logP: -1.75Crippen estimate
Polar surface area: 124.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 3
Stereocentres: S, 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

1613529-80-8

SMILES

C1=C(C(=O)NC(=O)N1CC(F)(F)F)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

InChIKey

NKQNAEGJFNGCQR-XUTVFYLZSA-N

InChI

InChI=1S/C11H13F3N2O6/c12-11(13,14)3-16-1-4(9(20)15-10(16)21)8-7(19)6(18)5(2-17)22-8/h1,5-8,17-19H,2-3H2,(H,15,20,21)/t5-,6-,7-,8+/m1/s1

Weigh it out

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Work with N1-(1,1,1-Trifluoroethyl)pseudouridine

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

N1-Ethylpseudouridine1613529-72-872 % similar N1-Benzyl pseudouridine1613530-22-569 % similar 2-Thiopseudouridine59464-18-550 % similar 5-Chlorouridine2880-89-946 % similar 5-Ethynyl uridine69075-42-944 % similar 2'-Fluorothymidine122799-38-643 % similar 1,3-Dimethylpseudouridine64272-68-041 % similar L-Uridine26287-69-441 % similar

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

Elsewhere

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