N1-Benzyl pseudouridine

C16H18N2O6CAS 1613530-22-5334.33 g/mol

Open in Covalent MOL file
NOHNOOOHOHHO
AlcoholEther

Properties

Molecular formula
C16H18N2O6
Molar mass
334.33 g/mol
Exact mass
334.1165 Da
logP
-1.26Crippen estimate
Polar surface area
124.8 Ų
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

PubChem CAS Common Chemistry NIST WebBook