| CAS Number | 34393-27-6 |
| Catalog Number | AG00C9AQ(AGN-PC-0O94U0) |
| Chemical Name | N-(1-Deoxy-D-fructos-1-yl)-L-asparagine |
| IUPAC Name | (2R)-4-amino-4-oxo-2-[[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]butanoic acid |
| InChI | InChI=1S/C10H18N2O8/c11-6(14)1-4(9(17)18)12-3-10(19)8(16)7(15)5(13)2-20-10/h4-5,7-8,12-13,15-16,19H,1-3H2,(H2,11,14)(H,17,18)/t4-,5-,7-,8+,10?/m1/s1 |
| InChI Key | AOBQWGHMIKNEHI-CWOUCCJVSA-N |
| MDL Number | MFCD30719711 |
| Molecular Formula | C10H18N2O8 |
| Molecular Weight | 294.2585 |
| SMILES | C([C@@H](C(=O)O)NCC(=O)[C@H]([C@@H]([C@@H](CO)O)O)O)C(=O)N |
| Synonyms | 34393-27-6,
Fructose-asparagine(Mixture of diastereomers),
SCHEMBL18343974,
DTXSID70747834,
1-Deoxy-1-L-asparagino-D-fructose,
N-(1-Deoxy-D-fructosyl)-L-asparagine,
FT-0668876,
N2-(1-Deoxy-D-fructos-1-yl)-L-asparagine,
1-[(2-Carbamoyl-1-carboxyethyl)amino]-1-deoxy-fructose,
(S)-1-[(3-Amino-1-carboxy-3-oxopropyl)amino]-1-deoxy-D-fructose,
(2R)-4-Amino-4-oxo-2-({[(3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methyl}amino)butanoic acid (non-preferred name),
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 294.26g/mol |
| Monoisotopic Mass | 294.106g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 183A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -6.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number