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Home > Boronic Acids > 852331-49-8
852331-49-8 | Vildagliptin-Boronic Acid
CAS No: 852331-49-8 Catalog No: AG00G4EE MDL No:
Product Description
Catalog Number:
AG00G4EE
Chemical Name:
Vildagliptin-Boronic Acid
CAS Number:
852331-49-8
IUPAC Name:
[(2R)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidin-2-yl]boronic acid
InChI:
InChI=1S/C16H27BN2O4/c20-14(19-3-1-2-13(19)17(22)23)9-18-15-5-11-4-12(6-15)8-16(21,7-11)10-15/h11-13,18,21-23H,1-10H2/t11?,12?,13-,15?,16?/m0/s1
InChI Key:
NFCUDZZBVHLQSU-JFQZXIRVSA-N
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
322.206g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
322.212g/mol
Monoisotopic Mass:
322.206g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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