| CAS Number | 57783-76-3 |
| Catalog Number | AG00EEIE(AGN-PC-0SOCMX) |
| Chemical Name | BENZYL 2,3,4-TRI-O-BENZYL-ALPHA-D-MANNOPYRANOSIDE |
| IUPAC Name | [(2R,3R,4S,5S,6S)-3,4,5,6-tetrakis(phenylmethoxy)oxan-2-yl]methanol |
| InChI | InChI=1S/C34H36O6/c35-21-30-31(36-22-26-13-5-1-6-14-26)32(37-23-27-15-7-2-8-16-27)33(38-24-28-17-9-3-10-18-28)34(40-30)39-25-29-19-11-4-12-20-29/h1-20,30-35H,21-25H2/t30-,31-,32+,33+,34+/m1/s1 |
| InChI Key | HYWPIYGUZWWMDH-ZOHVZMGWSA-N |
| MDL Number | MFCD28347482 |
| Molecular Formula | C34H36O6 |
| Molecular Weight | 540.6460 |
| SMILES | OCC1O[C@H](OCc2ccccc2)[C@@H]([C@H]([C@@H]1OCc1ccccc1)OCc1ccccc1)OCc1ccccc1 |
| Synonyms | 57783-76-3,
SCHEMBL18613923,
ZINC77273109,
Benzyl 2,3,4-Tri-O-benzyl-|A-D-mannopyranoside,
1-O,2-O,3-O,4-O-Tetrabenzyl-alpha-D-mannopyranose,
Phenylmethyl 2,3,4-Tris-O-(phenylmethyl)-|A-D-mannopyranoside,
Benzyl 2,3,4-Tri-O-benzyl-a-D-mannopyranoside,
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| Complexity | 665 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 540.251g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 540.656g/mol |
| Monoisotopic Mass | 540.251g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
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Certificate of Analysis
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