| CAS Number | 915714-21-5 |
| Catalog Number | AG00IGRJ(AGN-PC-0VT347) |
| Chemical Name | Fmoc-dap(boc)-ol |
| IUPAC Name | tert-butyl N-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropyl]carbamate |
| InChI | InChI=1S/C23H28N2O5/c1-23(2,3)30-21(27)24-12-15(13-26)25-22(28)29-14-20-18-10-6-4-8-16(18)17-9-5-7-11-19(17)20/h4-11,15,20,26H,12-14H2,1-3H3,(H,24,27)(H,25,28)/t15-/m0/s1 |
| InChI Key | LQQFVCOJXMXWLD-HNNXBMFYSA-N |
| MDL Number | MFCD04973190 |
| Molecular Formula | C23H28N2O5 |
| Molecular Weight | 412.4788 |
| SMILES | OC[C@@H](NC(=O)OCC1c2ccccc2-c2c1cccc2)CNC(=O)OC(C)(C)C |
| Synonyms | 915714-21-5,
Fmoc-L-Dap(Boc)-ol,
SCHEMBL18755979,
ZINC2540548,
6924AH,
MFCD04973190,
AKOS030212633,
(S)-N-alpha-Fmoc-N-beta-Boc-L-2,3-diaminopropan-1-ol,
Carbamic acid,N-[(1S)-3-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(hydroxymethyl)propyl]-, 9H-fluoren-9-ylmethyl ester,
Fmoc-dap(boc)-ol,
C23H28N2O5,
|
| Complexity | 569 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 412.2g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 412.486g/mol |
| Monoisotopic Mass | 412.2g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number