3-(N-Morpholino)propanesulfonic acid-d15

• CAS: 1219799-30-0
• Catalog Number: ACM1219799300
• Category: Other Products
• Molecular Weight: 224.35
• Molecular Formula: C7H15NO4S
• IUPAC Name: deuterio 1,1,2,2,3,3-hexadeuterio-3-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)propane-1-sulfonate
• InChI: InChI=1S/C7H15NO4S/c9-13(10,11)7-1-2-8-3-5-12-6-4-8/h1-7H2,(H,9,10,11)/i1D2,2D2,3D2,4D2,5D2,6D2,7D2/hD
• InChI Key: DVLFYONBTKHTER-OTUIAQFOSA-N
• Complexity: 227
• Exact Mass: 224.16633032
• Formal Charge: 0
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Isomeric SMILES: [2H]C1(C(OC(C(N1C([2H])([2H])C([2H])([2H])C([2H])([2H])S(=O)(=O)O[2H])([2H])[2H])([2H])[2H])([2H])[2H])[2H]
• Monoisotopic Mass: 224.16633032
• Rotatable Bond Count: 4
• Stability: Stable if stored under recommended conditions. After three years, the compound should be re-analyzed for chemical purity before use.
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 75.2 Ų
• XLogP3-AA: -3.1