| CAS Number | 124223-99-0 |
| Catalog Number | AG000LP5(AGN-PC-0PHRT6) |
| Chemical Name | 4-Methylumbelliferyl 2-acetamido-2-deoxy-α-D-galactopyranoside |
| IUPAC Name | N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(4-methyl-2-oxochromen-7-yl)oxyoxan-3-yl]acetamide |
| InChI | InChI=1S/C18H21NO8/c1-8-5-14(22)26-12-6-10(3-4-11(8)12)25-18-15(19-9(2)21)17(24)16(23)13(7-20)27-18/h3-6,13,15-18,20,23-24H,7H2,1-2H3,(H,19,21)/t13-,15-,16+,17-,18+/m1/s1 |
| InChI Key | QCTHLCFVVACBSA-LHKMKVQPSA-N |
| MDL Number | MFCD00270047 |
| Molecular Formula | C18H21NO8 |
| Molecular Weight | 379.3612 |
| SMILES | O=C1C=C(C)C2=CC=C(O[C@@H]3[C@H](NC(C)=O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C=C2O1 |
| Synonyms | 124223-99-0,
4-Methylumbelliferyl 2-acetamido-2-deoxy-a-D-galactopyranoside,
7-[[2-(Acetylamino)-2-deoxy-|A-D-galactopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one,
GalNAc1-|A-4MU,
SCHEMBL4256121,
MFCD00270047,
ZINC14488852,
W-200974,
4-Methylumbelliferyl 2-acetamido-2-deoxy--D-galactopyranoside,
2H-1-Benzopyran-2-one, 7-[[2-(acetylamino)-2-deoxy-alpha-D-galactopyranosyl]oxy]-4-methyl-,
4-Methylumbelliferyl 2-acetamido-2-deoxy-|A-D-galactopyranoside,
4-METHYLUMBELLIFERYL 2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE,
4-METHYLUMBELLIFERYL2-ACETAMIDO-2-DEOXY-ALPHA-D-GALACTOPYRANOSIDE,
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| Complexity | 608 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 5 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 379.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 379.365g/mol |
| Monoisotopic Mass | 379.127g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 135A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.8 |
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Certificate of Analysis
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