| CAS Number | 957230-65-8 |
| Catalog Number | AG005YD2(AGN-PC-0WAHUD) |
| Chemical Name | Isofagomine (D-tartrate) |
| IUPAC Name | (2S,3S)-2,3-dihydroxybutanedioic acid;(3R,4R,5R)-5-(hydroxymethyl)piperidine-3,4-diol |
| InChI | InChI=1S/C6H13NO3.C4H6O6/c8-3-4-1-7-2-5(9)6(4)10;5-1(3(7)8)2(6)4(9)10/h4-10H,1-3H2;1-2,5-6H,(H,7,8)(H,9,10)/t4-,5-,6-;1-,2-/m10/s1 |
| InChI Key | ULBPPCHRAVUQMC-AWUBODBRSA-N |
| MDL Number | MFCD18252640 |
| Molecular Formula | C10H19NO9 |
| Molecular Weight | 297.2592 |
| SMILES | O[C@@H]1[C@@H](CO)CNC[C@H]1O.O[C@H](C(O)=O)[C@H](O)C(O)=O |
| Synonyms | Isofagomine D-Tartrate,
957230-65-8,
Afegostat (D-Tartrate),
(3R,4R,5R)-5-(HYDROXYMETHYL)-3,4-PIPERIDINEDIOL (2S,3S)-2,3-DIHYDROXYBUTANEDIOATE,
Isofagomine D-TaTRate,
CTK5H8127,
Afegostat ( Isofagomine D-Tartrate),
HY-14829E,
AKOS030243237,
RT-013364,
CS-0024914,
A14385,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.26g/mol |
| Monoisotopic Mass | 297.106g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 188A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number