| CAS Number | 1207459-15-1 |
| Catalog Number | AG008WHI(AGN-PC-0WBN2Q) |
| Chemical Name | D-erythro-Pentofuranose, 2-deoxy-, 1-acetate 3,5-bis(4-chlorobenzoate) |
| IUPAC Name | [(2R,3S)-5-acetyloxy-3-(4-chlorobenzoyl)oxyoxolan-2-yl]methyl 4-chlorobenzoate |
| InChI | InChI=1S/C21H18Cl2O7/c1-12(24)28-19-10-17(30-21(26)14-4-8-16(23)9-5-14)18(29-19)11-27-20(25)13-2-6-15(22)7-3-13/h2-9,17-19H,10-11H2,1H3/t17-,18+,19?/m0/s1 |
| InChI Key | XHRJNOXRTTZFEQ-PAMZHZACSA-N |
| MDL Number | MFCD20487850 |
| Molecular Formula | C21H18Cl2O7 |
| Molecular Weight | 453.2694 |
| SMILES | CC(OC1C[C@H](OC(C2=CC=C(Cl)C=C2)=O)[C@@H](COC(C3=CC=C(Cl)C=C3)=O)O1)=O |
| Synonyms | 1207459-15-1,
1-O-Acetyl-3,5-bis(4-chlorobenzoyl)-2-deoxy-D-ribose,
XHRJNOXRTTZFEQ-PAMZHZACSA-N,
SCHEMBL37456,
DTXSID80693232,
(2R,3S)-5-Acetoxy-2-(((4-chlorobenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-chlorobenzoate,
FT-0661064,
1-o-acetyl-3,5-di-o-(4-chlorobenzoyl)-2-deoxy-d-ribofuranose,
1-o-acetyl-3,5-di-o-(4-chloro-benzoyl)-2-deoxy-d-ribofuranose,
1-O-Acetyl-3,5-bis-O-(4-chlorobenzoyl)-2-deoxy-D-erythro-pentofuranose,
1-Acetate 3,5-Bis(4-chlorobenzoate)-2-deoxy-D-erythro-pentofuranose,
2-Deoxy-D-erythro-pentofuranose 1-acetate 3,5-bis(4-chlorobenzoate),
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| Complexity | 613 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 452.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 453.268g/mol |
| Monoisotopic Mass | 452.043g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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