| CAS Number | 59935-30-7 |
| Catalog Number | AG00EDOC(AGN-PC-0SU49L) |
| Chemical Name | L-Isoleucine-15N |
| IUPAC Name | (2S,3S)-2-(15N)azanyl-3-methylpentanoic acid |
| InChI | InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1 |
| InChI Key | AGPKZVBTJJNPAG-NNXLWEQRSA-N |
| MDL Number | MFCD00144615 |
| Molecular Formula | C6H13NO2 |
| Molecular Weight | 132.1663 |
| SMILES | C(O)(=O)[C@H]([C@@H](C)CC)[15NH2] |
| Synonyms | L-Isoleucine-15N,
59935-30-7,
DTXSID50443307,
MFCD00144615,
L-Isoleucine-15N, 98 atom % 15N, 98% (CP),
Alloisoleucine,
CS-CH-00103,
CID10678279,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 1 |
| Molecular Weight | 132.168g/mol |
| Monoisotopic Mass | 132.092g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.7 |
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Certificate of Analysis
Lot Number