| CAS Number | 412015-69-1 |
| Catalog Number | AG00C7ZV(AGN-PC-0RQ19R) |
| Chemical Name | Carbamic acid,[(1R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(hydroxymethyl)ethyl]-,phenylmethyl ester |
| IUPAC Name | benzyl N-[(2R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate |
| InChI | InChI=1S/C16H24N2O5/c1-16(2,3)23-14(20)17-9-13(10-19)18-15(21)22-11-12-7-5-4-6-8-12/h4-8,13,19H,9-11H2,1-3H3,(H,17,20)(H,18,21)/t13-/m1/s1 |
| InChI Key | ZRYGVUNFLKWGQH-CYBMUJFWSA-N |
| MDL Number | MFCD06796916 |
| Molecular Formula | C16H24N2O5 |
| Molecular Weight | 324.3722 |
| SMILES | O=C(N[C@@H](CO)CNC(OC(C)(C)C)=O)OCC1=CC=CC=C1 |
| Synonyms | Z-D-DAP(BOC)-OL,
412015-69-1,
SCHEMBL3271846,
N2-BENZYLOXYCARBONYL-N3-(T-BUTYLOXYCARBONYL)-2,3-DIAMINOPROPANOL,
ZRYGVUNFLKWGQH-CYBMUJFWSA-N,
KM5413,
MFCD06796916,
ZINC95495886,
AKOS025289479,
FCH3618246,
AK170238,
(R)-Na-Z-Nb-Boc-2,3-diaminopropan-1-ol,
[(R)-1-(tert-butoxycarbonylamino-methyl)-2-hydroxy-ethyl]-carbamic acid benzyl ester,
Carbamic acid,[(1R)-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-(hydroxymethyl)ethyl]-,phenylmethyl ester,
|
| Complexity | 375 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.169g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 324.377g/mol |
| Monoisotopic Mass | 324.169g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard statements
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H302-H315-H319-H332-H335
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Precautionary statements
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P261-P280-P305+P351+P338
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Certificate of Analysis
Lot Number