| CAS Number | 215600-05-8 |
| Catalog Number | AG007PY6(AGN-PC-0WBO40) |
| Chemical Name | Fmoc-4-diethylphosphomethyl-D-phenylalanine |
| IUPAC Name | (2R)-3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C29H32NO7P/c1-3-36-38(34,37-4-2)19-21-15-13-20(14-16-21)17-27(28(31)32)30-29(33)35-18-26-24-11-7-5-9-22(24)23-10-6-8-12-25(23)26/h5-16,26-27H,3-4,17-19H2,1-2H3,(H,30,33)(H,31,32)/t27-/m1/s1 |
| InChI Key | CCLWUICKUOJJQS-HHHXNRCGSA-N |
| MDL Number | MFCD00273470 |
| Molecular Formula | C29H32NO7P |
| Molecular Weight | 537.5406 |
| SMILES | CCOP(=O)(Cc1ccc(cc1)C[C@H](C(=O)O)NC(=O)OCC1c2ccccc2-c2c1cccc2)OCC |
| Synonyms | Fmoc-4-diethylphosphomethyl-D-phenylalanine,
215600-05-8,
AC1MBSTR,
CTK8E8182,
DTXSID40373245,
AKOS025404107,
RT-012895,
(2R)-3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
CID2756113,
(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-((diethoxyphosphoryl)methyl)phenyl)propanoic acid,
160253-13-4,
3-[4-(diethoxyphosphorylmethyl)phenyl]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,
|
| Complexity | 798 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 537.192g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 537.549g/mol |
| Monoisotopic Mass | 537.192g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number