| CAS Number | 118358-80-8 |
| Catalog Number | AG008YLW(AGN-PC-0PBTMM) |
| Chemical Name | N-(((9H-Fluoren-9-Yl)Methoxy)Carbonyl)-O-((2S,3S,4S,5R,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydro-2H-Pyran-2-Yl)-L-Serine |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2S,3S,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-YVMRMMKNSA-N |
| MDL Number | MFCD05663656 |
| Molecular Formula | C32H35NO14 |
| Molecular Weight | 657.6186 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CO[C@H]1O[C@@H]([C@H]([C@@H]([C@@H]1OC(C)=O)OC(C)=O)OC(C)=O)COC(C)=O)C(=O)O |
| Synonyms | 118358-80-8,
ZINC162840475,
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-[(2-O,3-O,4-O,6-O-tetraacetyl-alpha-D-mannopyranosyl)oxy]-L-alanine,
Tetra-O-acetyl-a-Mannosyl-Fmocserine,
CID10746897,
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 | 657.205755g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 14 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 657.6g/mol |
| Monoisotopic Mass | 657.205755g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 199Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number