| CAS Number | 494210-66-1 |
| Catalog Number | AG01BK3Y(AGN-PC-0S325W) |
| Chemical Name | 2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3-(oxan-4-yl)propanoic acid |
| IUPAC Name | 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(oxan-4-yl)propanoic acid |
| InChI | InChI=1S/C23H25NO5/c25-22(26)21(13-15-9-11-28-12-10-15)24-23(27)29-14-20-18-7-3-1-5-16(18)17-6-2-4-8-19(17)20/h1-8,15,20-21H,9-14H2,(H,24,27)(H,25,26) |
| InChI Key | GHWBOWNFASFNHK-UHFFFAOYSA-N |
| MDL Number | MFCD02683140 |
| Molecular Formula | C23H25NO5 |
| Molecular Weight | 395.4483 |
| SMILES | OC(C(NC(OCC1C2=C(C=CC=C2)C2=C1C=CC=C2)=O)CC1CCOCC1)=O |
| Synonyms | 494210-66-1,
A-(FMOC-AMINO)-TETRAHYDROPYRAN-4-PROPANOIC ACID,
SCHEMBL19580422,
AKOS026739977,
AB12375,
2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(TETRAHYDRO-PYRAN-4-YL)-PROPIONIC ACID,
alpha-(Fmoc-amino)tetrahydropyran-4-propanoic acid,
F8887-2410,
2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-(oxan-4-yl)propanoic acid,
2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-3-(TETRAHYDRO-PYRAN-4-YL)-PROPION+,
2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-(tetrahydro-pyran-4-yl)-propionic acid, AldrichCPR,
|
| Complexity | 554 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 395.173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 395.455g/mol |
| Monoisotopic Mass | 395.173g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number