2-Thiopseudouridine

C9H12N2O5SCAS 59464-18-5260.26 g/mol

Open in Covalent MOL file
ONHSHNOOHOHHO
AlcoholEther

Properties

Molecular formula
C9H12N2O5S
Molar mass
260.26 g/mol
Exact mass
260.0467 Da
logP
-1.41Crippen estimate
Polar surface area
118.6 Ų
H-bond donors / acceptors
5 / 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.

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Identifiers

CAS number
59464-18-5
SMILES
C1=C(C(=O)NC(=S)N1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
InChIKey
DDHOXEOVAJVODV-GBNDHIKLSA-N
InChI
InChI=1S/C9H12N2O5S/c12-2-4-5(13)6(14)7(16-4)3-1-10-9(17)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,15,17)/t4-,5-,6-,7+/m1/s1

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

Work with 2-Thiopseudouridine

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-[4-Hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-pyrimidine-2,4-dione2140-68-357 % similar N1-Ethylpseudouridine1613529-72-853 % similar N1-Benzyl pseudouridine1613530-22-551 % similar N1-(1,1,1-Trifluoroethyl)pseudouridine1613529-80-850 % similar 2'-Deoxypseudouridine39967-60-744 % similar 1,3-Dimethylpseudouridine64272-68-041 % similar N1-Methylpseudouridine13860-38-341 % similar 3-Methyl-5-beta-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione81691-06-741 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Thiouridine13957-31-8 2-Thiouridine20235-78-3

Elsewhere

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