| CAS Number | 68045-07-8 |
| Catalog Number | AG00FBCR(AGN-PC-0TQY9K) |
| Chemical Name | 1,3,5-Tri-o-benzoyl-2-o-methyl-d-ribose |
| IUPAC Name | [(2R,3R,4R)-3,5-dibenzoyloxy-4-methoxyoxolan-2-yl]methyl benzoate |
| InChI | InChI=1S/C27H24O8/c1-31-23-22(34-25(29)19-13-7-3-8-14-19)21(17-32-24(28)18-11-5-2-6-12-18)33-27(23)35-26(30)20-15-9-4-10-16-20/h2-16,21-23,27H,17H2,1H3/t21-,22-,23-,27?/m1/s1 |
| InChI Key | BTKQRBSDABCRCX-IANNTBFTSA-N |
| MDL Number | MFCD01630921 |
| Molecular Formula | C27H24O8 |
| Molecular Weight | 476.4747 |
| SMILES | CO[C@H]1C(OC(C2=CC=CC=C2)=O)O[C@H](COC(C3=CC=CC=C3)=O)[C@H]1OC(C4=CC=CC=C4)=O |
| Synonyms | 68045-07-8,
1,3,5-Tri-O-benzoyl-2-O-methyl-D-ribofuranose,
1,3,5-Tri-O-benzoyl-2-O-methyl-D-ribose,
SCHEMBL6735660,
0484AC,
KM1171,
2-O-Methyl-D-ribofuranose tribenzoate,
AX8053676,
1,3,5-Tri-O-benzoyl-2-O-methyl-alpha/beta-D-ribose,
(3R,4R,5R)-5-(benzoyloxymethyl)-3-methoxytetrahydrofuran-2,4-diyl dibenzoate,
C27H24O8,
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| Complexity | 706 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 476.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 476.481g/mol |
| Monoisotopic Mass | 476.147g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 97.4A^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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