| CAS Number | 118358-38-6 |
| Catalog Number | AG008V0W(AGN-PC-0PBT8G) |
| Chemical Name | FMOC-L-SER(BETA-D-GLCAC4)-OH |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxypropanoic acid |
| InChI | InChI=1S/C32H35NO14/c1-16(34)41-15-26-27(44-17(2)35)28(45-18(3)36)29(46-19(4)37)31(47-26)42-14-25(30(38)39)33-32(40)43-13-24-22-11-7-5-9-20(22)21-10-6-8-12-23(21)24/h5-12,24-29,31H,13-15H2,1-4H3,(H,33,40)(H,38,39)/t25-,26+,27+,28-,29+,31+/m0/s1 |
| InChI Key | UGQPZVSWEMKXBN-UKFUGAQESA-N |
| MDL Number | MFCD03452820 |
| Molecular Formula | C32H35NO14 |
| Molecular Weight | 657.6186 |
| SMILES | CC(O[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[C@@H](C(O)=O)NC(OCC2C3=CC=CC=C3C4=CC=CC=C42)=O)COC(C)=O)OC(C)=O)OC(C)=O)=O |
| Synonyms | Fmoc-L-Ser(beta-D-Glc(Ac)4)-OH,
118358-38-6,
C32H35NO14,
SCHEMBL8618364,
AG1007,
MFCD03452820,
ZINC162212620,
AS-11148,
N-(9H-Fluorene-9-ylmethoxycarbonyl)-O-(2-O,3-O,4-O,6-O-tetraacetyl-beta-D-glucopyranosyl)-L-serine,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-O-(2,3,4,6-tetra-O-acetyl-beta-D-glucopyranosyl)-L-serine,
CID11125183,
CID 10746897,
|
| Complexity | 1140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 6 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 657.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 657.625g/mol |
| Monoisotopic Mass | 657.206g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 199A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number