| CAS Number | 704916-12-1 |
| Catalog Number | AG00FFQ8(AGN-PC-0TY9KP) |
| Chemical Name | [(2R,3R,4R,5R)-3,5-Bis(Benzoyloxy)-4-Fluorooxolan-2-Yl]Methyl Benzoate |
| IUPAC Name | [(2R,3R,4R,5R)-3,5-dibenzoyloxy-4-fluorooxolan-2-yl]methyl benzoate |
| InChI | InChI=1S/C26H21FO7/c27-21-22(33-24(29)18-12-6-2-7-13-18)20(16-31-23(28)17-10-4-1-5-11-17)32-26(21)34-25(30)19-14-8-3-9-15-19/h1-15,20-22,26H,16H2/t20-,21-,22-,26-/m1/s1 |
| InChI Key | JOAHVPNLVYCSAN-PIXQIBFHSA-N |
| MDL Number | MFCD09838823 |
| Molecular Formula | C26H21FO7 |
| Molecular Weight | 464.4391 |
| SMILES | O=C(OC[C@H]1O[C@H](OC(C2=CC=CC=C2)=O)[C@H](F)[C@@H]1OC(C3=CC=CC=C3)=O)C4=CC=CC=C4 |
| Synonyms | [(2R,3R,4R,5R)-3,5-Bis(benzoyloxy)-4-fluorooxolan-2-yl]methyl benzoate,
704916-12-1,
SCHEMBL812510,
JOAHVPNLVYCSAN-PIXQIBFHSA-N,
ZINC91364294,
CS-0058349,
14D432,
2-deoxy-2-fluoro-alpha-D-ribofuranose 1,3,5-tribenzoate,
2-Deoxy-2-fluoro-1,3,5-tri-O-benzoyl-alpha-D-ribofuranose,
1,3,5-TRI-O-BENZOYL-2-DEOXY-2-FLUORO-ALPHA-D-RIBOFURANOSE,
97614-43-2,
|
| Complexity | 695 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 464.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 34 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 464.445g/mol |
| Monoisotopic Mass | 464.127g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 88.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.2 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number