586846

N-Benzoyladenosine

96%

• Empirical Formula (Hill Notation): C₁₇H₁₇N₅O₅
• CAS Number: 4546-55-8
• Molecular Weight: 371.35
• Beilstein: 632501
• MDL number: MFCD00056988
• UNSPSC Code: 12352200
• PubChem Substance ID: 24881135
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 96%
• form: solid
• optical activity: [α]20/D -49°, c = 1% in DMSO
• mp: 141-145 °C (lit.)
• SMILES string: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(NC(=O)c4ccccc4)ncnc23
• InChI: 1S/C17H17N5O5/c23-6-10-12(24)13(25)17(27-10)22-8-20-11-14(18-7-19-15(11)22)21-16(26)9-4-2-1-3-5-9/h1-5,7-8,10,12-13,17,23-25H,6H2,(H,18,19,21,26)/t10-,12-,13-,17-/m1/s1
• InChI key: NZDWTKFDAUOODA-CNEMSGBDSA-N

Safety Information

• Pictograms: GHS07
• Signal Word: Warning
• Hazard Statements: H302
• Hazard Classifications: Acute Tox. 4 Oral
• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable