| CAS Number | 946716-29-6 |
| Catalog Number | AG00IIFV(AGN-PC-0WBODE) |
| Chemical Name | 4-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)oxane-4-carboxylic acid |
| IUPAC Name | 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]oxane-4-carboxylic acid |
| InChI | InChI=1S/C22H23NO5/c24-20(25)22(9-11-27-12-10-22)14-23-21(26)28-13-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,23,26)(H,24,25) |
| InChI Key | VPBOLCNCZREYGI-UHFFFAOYSA-N |
| MDL Number | MFCD09264209 |
| Molecular Formula | C22H23NO5 |
| Molecular Weight | 381.4217 |
| SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCC4(C(=O)O)CCOCC4 |
| Synonyms | 946716-29-6,
Fmoc-4-aminomethyl-tetrahydropyran-4-carboxylic acid,
4-({[(9H-fluoren-9-ylmethoxy)carbonyl]amino}methyl)oxane-4-carboxylic acid,
4-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)tetrahydro-2H-pyran-4-carboxylic acid,
6768AH,
MFCD09264209,
ZINC14632737,
AKOS017553545,
A-8457,
Z1805585732,
4-((N-Fmoc-amino)methyl)tetrahydro-2H-pyran-4-carboxylic acid,
Fmoc-4-aminomethyl-tetrahydropyran-4-carboxylic acid, AldrichCPR,
4-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxane-4-carboxylic acid,
C22H23NO5,
Fmoc-4-(aminomethyl)-oxan-4-carboxylic acid,
|
| Complexity | 551 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 381.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 381.428g/mol |
| Monoisotopic Mass | 381.158g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 84.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number