| CAS Number | 875211-10-2 |
| Catalog Number | AG01EKXE(AGN-PC-0VEGSJ) |
| Chemical Name | 3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)adamantane-1-carboxylic acid |
| IUPAC Name | 3-(9H-fluoren-9-ylmethoxycarbonylamino)adamantane-1-carboxylic acid |
| InChI | InChI=1S/C26H27NO4/c28-23(29)25-10-16-9-17(11-25)13-26(12-16,15-25)27-24(30)31-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-8,16-17,22H,9-15H2,(H,27,30)(H,28,29) |
| InChI Key | RXRDRSUDCSEVRK-UHFFFAOYSA-N |
| MDL Number | MFCD30478516 |
| Molecular Formula | C26H27NO4 |
| Molecular Weight | 417.4969 |
| SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC45CC6CC(C4)CC(C(=O)O)(C6)C5 |
| Synonyms | 875211-10-2,
Fmoc-Adam-OH,
SCHEMBL1694264,
AKOS030524662,
3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)adamantane-1-carboxylic acid,
|
| Complexity | 714 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 417.194g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 417.505g/mol |
| Monoisotopic Mass | 417.194g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number