| CAS Number | 67580-86-3 |
| Catalog Number | AG00FSH4(AGN-PC-0WBO6H) |
| Chemical Name | H-Thr(bzl)-obzl hcl |
| IUPAC Name | benzyl (2S,3R)-2-amino-3-phenylmethoxybutanoate;hydrochloride |
| InChI | InChI=1S/C18H21NO3.ClH/c1-14(21-12-15-8-4-2-5-9-15)17(19)18(20)22-13-16-10-6-3-7-11-16;/h2-11,14,17H,12-13,19H2,1H3;1H/t14-,17+;/m1./s1 |
| InChI Key | ORVAXKPZMYPUKE-CVLQQERVSA-N |
| MDL Number | MFCD11113160 |
| Molecular Formula | C18H22ClNO3 |
| Molecular Weight | 335.8252 |
| SMILES | N[C@H](C(=O)OCc1ccccc1)[C@H](OCc1ccccc1)C.Cl |
| Synonyms | 67580-86-3,
H-THR(BZL)-OBZL HCL,
H-Thr(Bzl)-OBzl.HCl,
O-Benzyl-L-threonine benzyl ester hydrochloride,
H-Thr(Bzl)-OBzlmiddotHCl,
SCHEMBL19614463,
7243AH,
KM1116,
MFCD11113160,
AK170250,
C18H21NO3.HCl,
L-Threonine, O-(phenylmethyl)-, phenylmethyl ester, hydrochloride (9CI),
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| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.129g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.828g/mol |
| Monoisotopic Mass | 335.129g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number