| CAS Number | 353236-19-8 |
| Catalog Number | AG00BZDR(AGN-PC-0RARHF) |
| Chemical Name | Fmoc-D-Asn(Xan)-OH |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-4-(9H-xanthen-9-ylamino)butanoic acid |
| InChI | InChI=1S/C32H26N2O6/c35-29(34-30-23-13-5-7-15-27(23)40-28-16-8-6-14-24(28)30)17-26(31(36)37)33-32(38)39-18-25-21-11-3-1-9-19(21)20-10-2-4-12-22(20)25/h1-16,25-26,30H,17-18H2,(H,33,38)(H,34,35)(H,36,37)/t26-/m1/s1 |
| InChI Key | BHSJDYJRHPNVAM-AREMUKBSSA-N |
| MDL Number | MFCD01076135 |
| Molecular Formula | C32H26N2O6 |
| Molecular Weight | 534.5586 |
| SMILES | OC(=O)[C@@H](CC(=O)NC1C2=CC=CC=C2OC2=CC=CC=C12)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12 |
| Synonyms | 353236-19-8,
Fmoc-D-Asn(Xan)-OH,
C32H26N2O6,
Fmoc-Ngamma-xanthyl-D-asparagine,
ZINC2572683,
MFCD01076135,
n-alfa-fmoc-n-gamma-xanthyl-d-asparagine,
ACM353236198,
AS-48976,
X5748,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-beta-xantyl-D-asparagine,
|
| Complexity | 883 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 534.179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 534.568g/mol |
| Monoisotopic Mass | 534.179g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 114A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number