| CAS Number | 169219-08-3 |
| Catalog Number | AG01DO0U(AGN-PC-0Q9F1H) |
| Chemical Name | 2,3,4,6-Tetra-O-acetyl-a-D-mannopyranosyl-(N2-Fmoc)-L-threonine |
| IUPAC Name | (2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxybutanoic acid |
| InChI | InChI=1S/C33H37NO14/c1-16(27(31(39)40)34-33(41)43-14-25-23-12-8-6-10-21(23)22-11-7-9-13-24(22)25)44-32-30(47-20(5)38)29(46-19(4)37)28(45-18(3)36)26(48-32)15-42-17(2)35/h6-13,16,25-30,32H,14-15H2,1-5H3,(H,34,41)(H,39,40)/t16-,26-,27+,28-,29+,30+,32+/m1/s1 |
| InChI Key | PTSXZIRHPAUPGC-CVPHCDLXSA-N |
| MDL Number | MFCD05663659 |
| Molecular Formula | C33H37NO14 |
| Molecular Weight | 671.6452 |
| SMILES | C[C@@H](O[C@H]1O[C@H](COC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H]1OC(=O)C)[C@H](NC(=O)OCC2c3ccccc3c4ccccc24)C(=O)O |
| Synonyms | Fmoc-L-Thr(alpha-D-Man(Ac)4)-OH,
169219-08-3,
AG1012,
MFCD05663659,
ZINC162417085,
AS-11153,
N-[(9H-Fluorene-9-ylmethoxy)carbonyl]-O-(2-O,3-O,4-O,6-O-tetraacetyl-alpha-D-mannopyranosyl)-L-threonine,
C32H37NO14,
CID11227673,
CID 10723142,
|
| Complexity | 1170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 7 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 671.221g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 48 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 671.652g/mol |
| Monoisotopic Mass | 671.221g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 199A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number