| CAS Number | 74801-06-2 |
| Catalog Number | AG00G4TX(AGN-PC-0U62TK) |
| Chemical Name | 1,2,3-Tri-O-benzyl-b-D-galactopyranoside |
| IUPAC Name | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)oxan-3-ol |
| InChI | InChI=1S/C27H30O6/c28-16-23-24(29)25(30-17-20-10-4-1-5-11-20)26(31-18-21-12-6-2-7-13-21)27(33-23)32-19-22-14-8-3-9-15-22/h1-15,23-29H,16-19H2/t23-,24+,25+,26-,27-/m1/s1 |
| InChI Key | LSHLWIIYISYWAF-LXSUACKSSA-N |
| MDL Number | MFCD07367689 |
| Molecular Formula | C27H30O6 |
| Molecular Weight | 450.5235 |
| SMILES | OC[C@H]1O[C@@H](OCC2=CC=CC=C2)[C@H](OCC3=CC=CC=C3)[C@@H](OCC4=CC=CC=C4)[C@H]1O |
| Synonyms | 1,2,3-Tri-O-benzyl-b-D-galactopyranoside,
74801-06-2,
ZINC44171228,
Benzyl 2-O,3-O-dibenzyl-beta-D-galactopyranoside,
W-203713,
BENZYL 2,3-DI-O-BENZYL-BETA-D-GALACTOPYRANOSIDE,
CID11339901,
Benzyl 2,3-Di-O-benzyl-b-D-galactopyranoside,
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-4,5,6-tris(phenylmethoxy)oxan-3-ol,
|
| Complexity | 527 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 450.204g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 450.531g/mol |
| Monoisotopic Mass | 450.204g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 77.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number