| CAS Number | 109303-71-1 |
| Catalog Number | AG0082KB(AGN-PC-0A66KD) |
| Chemical Name | Methyl 3-O-(2-Acetamido-2-deoxy-b-D-galactopyranosyl)-α-D-galactopyranoside |
| IUPAC Name | N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxan-3-yl]acetamide |
| InChI | InChI=1S/C15H27NO11/c1-5(18)16-8-11(21)9(19)6(3-17)26-14(8)25-4-7-10(20)12(22)13(23)15(24-2)27-7/h6-15,17,19-23H,3-4H2,1-2H3,(H,16,18) |
| InChI Key | UXYSKKBVNODRDW-UHFFFAOYSA-N |
| MDL Number | MFCD04039592 |
| Molecular Formula | C15H27NO11 |
| Molecular Weight | 397.3750 |
| SMILES | CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)C)[C@H]1O |
| Synonyms | GalNAc1-b-3Gal-alpha-OMe,
109303-71-1,
80264-88-6,
AC1N4SO8,
GalNAc1-b-3Gal- -OMe,
CTK8E9015,
DTXSID10400431,
RT-013078,
FT-0671412,
Methyl 6-O-(2-acetamido-2-deoxyhexopyranosyl)hexopyranoside,
Methyl 6-O-(N-acetyl-|A-D-glucosaminyl)-|A-D-mannopyranoside,
N-[4,5-dihydroxy-6-(hydroxymethyl)-2-[(3,4,5-trihydroxy-6-methoxyoxan-2-yl)methoxy]oxan-3-yl]acetamide,
|A-D-galactopyranoside ",
GalNAc1-b-3Gal-|A-OMe,
CID4183957,
CID 4183957,
|A-D-GlcNAc-(1 inverted exclamation marku6)-|A-D-Man-1 inverted exclamation markuOMe,
|
| Complexity | 494 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 397.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 397.377g/mol |
| Monoisotopic Mass | 397.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 187A^2 |
| Undefined Atom Stereocenter Count | 10 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.2 |
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Certificate of Analysis
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