| CAS Number | 862667-62-7 |
| Catalog Number | AG01DFRW(AGN-PC-0V3IQG) |
| Chemical Name | 3-(Benzyloxy)-4-oxo-6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-4h-pyran-2-carboxylic acid |
| IUPAC Name | 6-(oxan-2-yloxymethyl)-4-oxo-3-phenylmethoxypyran-2-carboxylic acid |
| InChI | InChI=1S/C19H20O7/c20-15-10-14(12-24-16-8-4-5-9-23-16)26-18(19(21)22)17(15)25-11-13-6-2-1-3-7-13/h1-3,6-7,10,16H,4-5,8-9,11-12H2,(H,21,22) |
| InChI Key | ZVTSAPDSOIRIJF-UHFFFAOYSA-N |
| MDL Number | MFCD30471962 |
| Molecular Formula | C19H20O7 |
| Molecular Weight | 360.3579 |
| SMILES | OC(=O)c1oc(COC2CCCCO2)cc(=O)c1OCc1ccccc1 |
| Synonyms | 3-(Benzyloxy)-4-oxo-6-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-4h-pyran-2-carboxylic acid,
862667-62-7,
SCHEMBL5523291,
ZVTSAPDSOIRIJF-UHFFFAOYSA-N,
MFCD30471962,
AKOS030628246,
3-(Benzyloxy)-4-oxo-6-[(tetrahydro-2H-pyran-2-yloxy)methyl]-4H-pyran-2-carboxylic acid,
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| Complexity | 587 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 360.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 360.362g/mol |
| Monoisotopic Mass | 360.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 91.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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