| CAS Number | 4337-04-6 |
| Catalog Number | AG003R7Y(AGN-PC-0RRPRR) |
| Chemical Name | L-AScorbyl 2,6-dibutyrate |
| IUPAC Name | [(2S)-2-[(2R)-4-butanoyloxy-3-hydroxy-5-oxo-2H-furan-2-yl]-2-hydroxyethyl] butanoate |
| InChI | InChI=1S/C14H20O8/c1-3-5-9(16)20-7-8(15)12-11(18)13(14(19)22-12)21-10(17)6-4-2/h8,12,15,18H,3-7H2,1-2H3/t8-,12+/m0/s1 |
| InChI Key | BFXWCTCPRAYDEB-QPUJVOFHSA-N |
| MDL Number | MFCD08276452 |
| Molecular Formula | C14H20O8 |
| Molecular Weight | 316.3038 |
| SMILES | CCCC(=O)OCC(O)C1OC(=O)C(OC(=O)CCC)C1=O |
| Synonyms | L-Ascorbyl 2,6-Dibutyrate,
4337-04-6,
SCHEMBL1869725,
L-Ascorbic acid 2,6-dibutyrate,
DTXSID80715882,
PUBCHEM_54693078,
2,6-Di-O-butyryl-L-ascorbic Acid,
A1205,
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| Complexity | 468 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 316.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 316.306g/mol |
| Monoisotopic Mass | 316.116g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 119A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number