| CAS Number | 1858223-95-6 |
| Catalog Number | AG00IMIK(AGN-PC-0WQUNP) |
| Chemical Name | LacDiNAc(I) MP Glycoside |
| IUPAC Name | N-[(2R,3R,4R,5R,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-3-hydroxy-2-(hydroxymethyl)-6-(4-methoxyphenoxy)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide |
| InChI | InChI=1S/C23H34N2O12/c1-10(28)24-16-20(32)18(30)14(8-26)35-22(16)37-21-17(25-11(2)29)23(36-15(9-27)19(21)31)34-13-6-4-12(33-3)5-7-13/h4-7,14-23,26-27,30-32H,8-9H2,1-3H3,(H,24,28)(H,25,29)/t14-,15-,16-,17-,18+,19-,20-,21-,22+,23-/m1/s1 |
| InChI Key | QYRBZLMELQPTLF-SZQBMKRCSA-N |
| MDL Number | MFCD10566911 |
| Molecular Formula | C23H34N2O12 |
| Molecular Weight | 530.5223 |
| SMILES | O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OC3=CC=C(OC)C=C3)[C@@H]2NC(C)=O)[C@@H]1NC(C)=O |
| Synonyms | MFCD10566911,
1858223-95-6,
LacDiNAc(I) MP Glycoside,
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| Complexity | 751 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 10 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 530.211g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 7 |
| Isotope Atom Count | 0 |
| Molecular Weight | 530.527g/mol |
| Monoisotopic Mass | 530.211g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 206A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number