| CAS Number | 10003-64-2 |
| Catalog Number | AG008WH4(AGN-PC-0NUW7X) |
| Chemical Name | Fructosylvaline |
| IUPAC Name | (2S)-3-methyl-2-[[(3S,4R,5R)-3,4,5,6-tetrahydroxy-2-oxohexyl]amino]butanoic acid |
| InChI | InChI=1S/C11H21NO7/c1-5(2)8(11(18)19)12-3-6(14)9(16)10(17)7(15)4-13/h5,7-10,12-13,15-17H,3-4H2,1-2H3,(H,18,19)/t7-,8+,9-,10-/m1/s1 |
| InChI Key | JEQHVKBNRPNQDY-UTINFBMNSA-N |
| MDL Number | MFCD19443381 |
| Molecular Formula | C11H21NO7 |
| Molecular Weight | 279.2869 |
| SMILES | [C@H](NCC([C@H]([C@@H]([C@@H](CO)O)O)O)=O)([C@H](C)C)C(O)=O |
| UNII | H77T9T95MQ |
| Synonyms | Fru-Val,
fructosylvaline,
fructosylvaline, (beta)-isomer,
Fructosylvaline,
UNII-H77T9T95MQ,
10003-64-2,
Fructose Valine (mixture of diastereomers),
H77T9T95MQ,
Fru-val,
ZINC85590372,
N-(1-deoxy-d-fructos-1-yl) valine,
L-Valine, N-(1-deoxy-D-fructos-1-yl)-,
FT-0668881,
J-000012,
N-Fructosyl Valine,
C11H21NO7,
C11-H21-N-O7,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.289g/mol |
| Monoisotopic Mass | 279.132g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number