2,5-Bis[(acetyloxy)methyl-4-methoxy-3-methylpyridine - CAS 1391054-07-1
Catalog: |
BB073306 |
Product Name: |
2,5-Bis[(acetyloxy)methyl-4-methoxy-3-methylpyridine |
CAS: |
1391054-07-1 |
Synonyms: |
2,5-Bis[(acetyloxy)methyl-4-methoxy-3-methylpyridine; [6-(acetyloxymethyl)-4-methoxy-5-methylpyridin-3-yl]methyl acetate |
IUPAC Name: | [6-(acetyloxymethyl)-4-methoxy-5-methylpyridin-3-yl]methyl acetate |
Description: | Intermediate in the preparation of Omeprazole metabolites. |
Molecular Weight: | 267.28 |
Molecular Formula: | C13H17NO5 |
Canonical SMILES: | CC1=C(C(=CN=C1COC(=O)C)COC(=O)C)OC |
InChI: | InChI=1S/C13H17NO5/c1-8-12(7-19-10(3)16)14-5-11(13(8)17-4)6-18-9(2)15/h5H,6-7H2,1-4H3 |
InChI Key: | RATCJSXYXAYRQD-UHFFFAOYSA-N |
Solubility: | Dichloromethane, Methanol |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.11067264 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.11067264 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 74.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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