| CAS Number | 209977-51-5 |
| Catalog Number | AG002KHP(AGN-PC-0O7PWE) |
| Chemical Name | 2-Acetamido-2-deoxy-6-O-(b-D-galactopyranosyl)-D-galactopyranose |
| IUPAC Name | N-[(3R,4R,5R,6R)-2,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-3-yl]acetamide |
| InChI | InChI=1S/C14H25NO11/c1-4(17)15-7-10(20)9(19)6(25-13(7)23)3-24-14-12(22)11(21)8(18)5(2-16)26-14/h5-14,16,18-23H,2-3H2,1H3,(H,15,17)/t5-,6-,7-,8+,9+,10-,11+,12-,13?,14-/m1/s1 |
| InChI Key | ACKXCNXSQYSCQN-UUHITYSKSA-N |
| MDL Number | MFCD00269865 |
| Molecular Formula | C14H25NO11 |
| Molecular Weight | 383.3484 |
| SMILES | CC(=O)N[C@H]1[C@@H](O)O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O |
| Synonyms | 209977-51-5,
2-Acetamido-2-deoxy-6-O-(beta-D-galactopyranosyl)-D-galactopyranose,
Gal1-|A-6GalNAc,
2-Acetamido-2-deoxy-6-O-(|A-D-galactopyranosyl)-D-galactopyranose,
SCHEMBL4030962,
AB05538,
2-(Acetylamino)-2-deoxy-6-O-|A-D-galactopyranosyl-D-galactopyranose,
D-Galactopyranose, 2-(acetylamino)-2-deoxy-6-O-beta-D-galactopyranosyl-,
WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][a2112h-1b_1-5]/1-2/a6-b1,
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| Complexity | 480 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 9 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 383.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 383.35g/mol |
| Monoisotopic Mass | 383.143g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 198A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.7 |
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Certificate of Analysis
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