| CAS Number | 36806-15-2 |
| Catalog Number | AG0077X9(AGN-PC-0RCT05) |
| Chemical Name | 2,6-Deoxyfructosazine |
| IUPAC Name | (1S,2R,3S)-1-[5-[(2R,3R)-2,3,4-trihydroxybutyl]pyrazin-2-yl]butane-1,2,3,4-tetrol |
| InChI | InChI=1S/C12H20N2O7/c15-4-9(18)8(17)1-6-2-14-7(3-13-6)11(20)12(21)10(19)5-16/h2-3,8-12,15-21H,1,4-5H2/t8-,9-,10+,11+,12+/m1/s1 |
| InChI Key | FBDICDJCXVZLIP-GCHJQGSQSA-N |
| MDL Number | MFCD18382250 |
| Molecular Formula | C12H20N2O7 |
| Molecular Weight | 304.2964 |
| SMILES | OC[C@@H](O)[C@@H](O)Cc1cncc(n1)[C@@H](O)[C@H](O)[C@H](O)CO |
| Synonyms | 2,6-Deoxyfructosazine,
36806-15-2,
CTK8F3859,
AKOS030254616,
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| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.299g/mol |
| Monoisotopic Mass | 304.127g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 167A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number