N1-Ethylpseudouridine

C11H16N2O6CAS 1613529-72-8272.26 g/mol

Open in Covalent MOL file
NONHOOOHOHHO
AlcoholEther

Properties

Molecular formula
C11H16N2O6
Molar mass
272.26 g/mol
Exact mass
272.1008 Da
logP
-2.29Crippen estimate
Polar surface area
124.8 Ų
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.

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Identifiers

CAS number
1613529-72-8
SMILES
CCN1C=C(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIKey
AMMRPAYSYYGRKP-BGZDPUMWSA-N
InChI
InChI=1S/C11H16N2O6/c1-2-13-3-5(10(17)12-11(13)18)9-8(16)7(15)6(4-14)19-9/h3,6-9,14-16H,2,4H2,1H3,(H,12,17,18)/t6-,7-,8-,9+/m1/s1

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Work with N1-Ethylpseudouridine

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-Benzyl pseudouridine1613530-22-573 % similar N1-(1,1,1-Trifluoroethyl)pseudouridine1613529-80-872 % similar 2-Thiopseudouridine59464-18-553 % similar 5-Chlorouridine2880-89-948 % similar 5-Ethynyl uridine69075-42-946 % similar 2'-Fluorothymidine122799-38-645 % similar N1-Methylpseudouridine13860-38-345 % similar 5-[4-Hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione2140-68-345 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-2 5-Methyl-2′-O-methyluridine55486-09-4 1,3-Dimethylpseudouridine64272-68-0

Elsewhere

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