| CAS Number | 1272755-69-7 |
| Catalog Number | AG009FB1(AGN-PC-0WAEL1) |
| Chemical Name | N-GLCNAC-BIOTIN |
| IUPAC Name | 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[(2R,3S,4R,6S)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)oxan-2-yl]pentanamide |
| InChI | InChI=1S/C19H31N3O7S/c1-9(24)6-10-16(26)17(27)12(7-23)29-18(10)21-14(25)5-3-2-4-13-15-11(8-30-13)20-19(28)22-15/h10-13,15-18,23,26-27H,2-8H2,1H3,(H,21,25)(H2,20,22,28)/t10-,11-,12-,13-,15-,16+,17?,18+/m0/s1 |
| InChI Key | FSUXTBPGXKXZDJ-NWGRMCGKSA-N |
| MDL Number | MFCD10567198 |
| Molecular Formula | C18H30N4O7S |
| Molecular Weight | 446.5184 |
| SMILES | O=C1N[C@@]([C@H](CCCCC(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2NC(C)=O)=O)SC3)([H])[C@@]3([H])N1 |
| Synonyms | N-GlcNAc-Biotin,
1272755-69-7,
DTXSID10659806,
G0297,
2-Acetamido-N-biotinyl-2-deoxy-beta-D-glucopyranosylamine,
(4xi)-2-Deoxy-N-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-2-(2-oxopropyl)-alpha-L-ribo-hexopyranosylamine,
2-Acetamido-2-deoxy-beta-D-glucopyranosylaminobiotin,
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| Complexity | 652 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 445.188g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 445.531g/mol |
| Monoisotopic Mass | 445.188g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 183A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number