| CAS Number | 197892-17-4 |
| Catalog Number | AG00I3M3(AGN-PC-0WBOHT) |
| Chemical Name | Boc-d-dab(z)-ol |
| IUPAC Name | benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate |
| InChI | InChI=1S/C17H26N2O5/c1-17(2,3)24-16(22)19-14(11-20)9-10-18-15(21)23-12-13-7-5-4-6-8-13/h4-8,14,20H,9-12H2,1-3H3,(H,18,21)(H,19,22)/t14-/m1/s1 |
| InChI Key | SLMOCVXNGYHGJK-CQSZACIVSA-N |
| MDL Number | MFCD22381070 |
| Molecular Formula | C17H26N2O5 |
| Molecular Weight | 338.3987 |
| SMILES | OC[C@H](NC(=O)OC(C)(C)C)CCNC(=O)OCc1ccccc1 |
| Synonyms | Boc-D-Dab(Z)(ol),
197892-17-4,
Boc-D-Dab(Z)-Ol,
SCHEMBL6620803,
6321AH,
MFCD22381070,
ZINC39050583,
AKOS030212278,
C17H26N2O5,
|
| Complexity | 389 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 338.184g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 338.404g/mol |
| Monoisotopic Mass | 338.184g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number