| CAS Number | 75113-71-2 |
| Catalog Number | AG003OGF(AGN-PC-0U6QMN) |
| Chemical Name | Boc-d-2-aminosuberic acid |
| IUPAC Name | (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioic acid |
| InChI | InChI=1S/C13H23NO6/c1-13(2,3)20-12(19)14-9(11(17)18)7-5-4-6-8-10(15)16/h9H,4-8H2,1-3H3,(H,14,19)(H,15,16)(H,17,18)/t9-/m1/s1 |
| InChI Key | WZVLJRPOVUCTFZ-SECBINFHSA-N |
| MDL Number | MFCD01317723 |
| Molecular Formula | C13H23NO6 |
| Molecular Weight | 289.3248 |
| SMILES | O=C(O)[C@H](NC(OC(C)(C)C)=O)CCCCCC(O)=O |
| Synonyms | 75113-71-2,
boc-d-asu-oh,
BOC-D-2-AMINOSUBERIC ACID,
(R)-2-((tert-Butoxycarbonyl)amino)octanedioic acid,
(2R)-2-[(tert-butoxycarbonyl)amino]octanedioic acid,
Boc-D-a-aminosuberic acid,
CTK8F0564,
DTXSID10512184,
ZINC2244137,
(R)-2-(Boc-amino)octanedioic acid,
9195AE,
KM1669,
MFCD01317723,
AKOS025312280,
(R)-2-(Boc-amino)octanedioic acid, 97%,
TR-024204,
FT-0679778,
(R)-2-(tert-butoxycarbonylamino)octanedioic acid,
C13H23NO6,
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| Complexity | 347 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.153g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.328g/mol |
| Monoisotopic Mass | 289.153g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 113A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number