| CAS Number | 85546-27-6 |
| Catalog Number | AG00IDP8(AGN-PC-0OJYLI) |
| Chemical Name | Boc-D-Ala-Onp |
| IUPAC Name | (4-nitrophenyl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-7-5-10(6-8-11)16(19)20/h5-9H,1-4H3,(H,15,18)/t9-/m1/s1 |
| InChI Key | SUHFNHHZORGDFI-SECBINFHSA-N |
| MDL Number | MFCD01862290 |
| Molecular Formula | C14H18N2O6 |
| Molecular Weight | 310.3025 |
| SMILES | C(C)(C)(C)OC(=O)N[C@@H](C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C |
| Synonyms | BOC-D-ALA-ONP,
85546-27-6,
ZINC2386592,
KM5626,
MFCD01862290,
AKOS026671260,
BOC-D-ALANINE-4-NITROPHENYLESTER,
N-(tert-Butyloxycarbonyl)-D-alanine 4-nitrophenyl ester,
Boc-Ala-ONp,
ZINC02575523,
CID10881449,
2483-49-0,
|
| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.116g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 310.306g/mol |
| Monoisotopic Mass | 310.116g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number