| CAS Number | 141846-57-3 |
| Catalog Number | AG006WXD(AGN-PC-0PRGN4) |
| Chemical Name | (2S,3R,5R)-5-Chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate |
| EC Number | 604-255-4 |
| IUPAC Name | [(2S,3R,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate |
| InChI | InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19+/m1/s1 |
| InChI Key | FJHSYOMVMMNQJQ-QYZOEREBSA-N |
| MDL Number | MFCD08704057 |
| Molecular Formula | C21H21ClO5 |
| Molecular Weight | 388.8414 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC[C@@H]1O[C@H](Cl)C[C@H]1OC(=O)C1=CC=C(C)C=C1 |
| Synonyms | (2S,3R,5R)-5-Chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate,
141846-57-3,
(2S,3R,5R)-5-Chloro-2-(((4-methylbenzoyl)oxy)-methyl)tetrahydrofuran-3-yl 4-methylbenzoate,
SCHEMBL3390288,
ZINC1729832,
ANW-66945,
AKOS016008086,
AJ-31192,
AX8238505,
TC-155690,
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| Complexity | 509 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.844g/mol |
| Monoisotopic Mass | 388.108g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
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Certificate of Analysis
Lot Number