1,3-Dimethylpseudouridine

C₁₁H₁₆N₂O₆CAS 64272-68-0272.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₆N₂O₆
Molar mass: 272.26 g/mol
Exact mass: 272.1008 Da
logP: -2.76Crippen estimate
Polar surface area: 113.9 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 2
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

64272-68-0

SMILES

CN1C=C(C(=O)N(C1=O)C)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O

InChIKey

UWLSSKRAONJGQX-BGZDPUMWSA-N

InChI

InChI=1S/C11H16N2O6/c1-12-3-5(10(17)13(2)11(12)18)9-8(16)7(15)6(4-14)19-9/h3,6-9,14-16H,4H2,1-2H3/t6-,7-,8-,9+/m1/s1

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Work with 1,3-Dimethylpseudouridine

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

1,3-Dimethyl-2'-deoxypseudouridine65358-16-963 % similar 3-(3-Amino-3-carboxypropyl)-1-methylpseudouridine52777-29-463 % similar 3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-760 % similar N1-Methylpseudouridine13860-38-357 % similar 1-Methylinosine2140-73-043 % similar N1-Benzyl pseudouridine1613530-22-542 % similar 2-Thiopseudouridine59464-18-541 % similar N1-(1,1,1-Trifluoroethyl)pseudouridine1613529-80-841 % similar

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

Same formula

N1-Ethylpseudouridine1613529-72-8 N-(tert-Butyloxycarbonyl)glycine N-hydroxysuccinimide ester3392-07-2 5-Methyl-2′-O-methyluridine55486-09-4

Elsewhere

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