N1-Benzyl pseudouridine

C₁₆H₁₈N₂O₆CAS 1613530-22-5334.33 g/mol

Open in Covalent MOL file

Alcohol Ether

Properties

Molecular formula: C₁₆H₁₈N₂O₆
Molar mass: 334.33 g/mol
Exact mass: 334.1165 Da
logP: -1.26Crippen estimate
Polar surface area: 124.8 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 4
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

1613530-22-5

SMILES

C1=CC=C(C=C1)CN2C=C(C(=O)NC2=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O

InChIKey

UDWJDHVNBZRPBP-SYQHCUMBSA-N

InChI

InChI=1S/C16H18N2O6/c19-8-11-12(20)13(21)14(24-11)10-7-18(16(23)17-15(10)22)6-9-4-2-1-3-5-9/h1-5,7,11-14,19-21H,6,8H2,(H,17,22,23)/t11-,12-,13-,14+/m1/s1

Weigh it out

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

Work with N1-Benzyl 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-Ethylpseudouridine1613529-72-873 % similar N1-(1,1,1-Trifluoroethyl)pseudouridine1613529-80-869 % similar 2-Thiopseudouridine59464-18-551 % similar 5-Chlorouridine2880-89-947 % similar 5-Ethynyl uridine69075-42-944 % similar L-Uridine26287-69-444 % similar 1,3-Dimethylpseudouridine64272-68-042 % similar 2'-Fluorothymidine122799-38-642 % similar

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

Same formula

Succinimidyl 4-(N-maleimidomethyl)cyclohexane-1-carboxylate64987-85-5

Elsewhere

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