AC1L9XJL structure

AC1L9XJL

[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate

Also Known As: Acetic acid 3-azido-5-(2-oxo-4-(1,2,4)triazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester furan-2-ylmethyl ester|[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin|[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate|[(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]tetrahydrofuran-2-yl]methyl acetate|1-(5-O-Acetyl-3-azido-2,3-dideoxy-beta-D-erythro-pentofuranosyl)-4-(1H-1,2,4-triazol-1-yl)pyrimidin-2(1H)-one|Acetic acid 3-azido-5-(2-oxo-4-[1,2,4]triazol-1-yl-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester furan-2-ylmethyl ester

CAS: 87190-76-9
Molecular Formula C13H14N8O4
Molecular Weight 346.1138 g/mol
LogP 0.7
Topological Polar Surface Area 113.0 Ų
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 8
Rotatable Bonds 6
Exact Mass 346.1138
Monoisotopic Mass 346.1138
Heavy Atoms 25
Complexity 658.0

Chemical Identifiers

CAS Number 87190-76-9
SMILES CC(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=CC(=NC2=O)N3C=NC=N3)N=[N+]=[N-]
InChIKey SGSTZVCBHMEELE-HOSYDEDBSA-N

Product Overview

AC1L9XJL (CAS 87190-76-9), with molecular formula C13H14N8O4 and molecular weight 346.1138 g/mol. IUPAC: [(2S,3S,5R)-3-azido-5-[2-oxo-4-(1,2,4-triazol-1-yl)pyrimidin-1-yl]oxolan-2-yl]methyl acetate.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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