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fmoc-L-threonine monohydrate

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Category

Fmoc-Amino Acids

Catalog number

BAT-014237

CAS number

73731-37-0

Molecular Formula

C19H19NO5

Molecular Weight

341.36

Specification
Reference Reading

IUPAC Name

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxybutanoic acid

Synonyms

2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-butanoic acid; FMOC-L-THREONINE; FMOC-L-THREONINE MONOHYDRATE; FMOC-L-THR-OH; FMOC-L-THR-OH H2O; FMOC-THREONINE; FMOC-THR-OH; FMOC-THR-OH H2O

Purity

>98.0%(LC)(T)

Density

1.327 g/cm3

InChI

InChI=1S/C19H19NO5/c1-11(21)17(18(22)23)20-19(24)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,11,16-17,21H,10H2,1H3,(H,20,24)(H,22,23)/t11-,17+/m1/s1

InChI Key

OYULCCKKLJPNPU-DIFFPNOSSA-N

Canonical SMILES

CC(C(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)O

1. DL-Proline

Sunnie Myung, Maren Pink, Mu Hyun Baik, David E Clemmer Acta Crystallogr C. 2005 Aug;61(Pt 8):o506-8. doi: 10.1107/S0108270105021001. Epub 2005 Jul 23.

In the structure of DL-proline, C5H9NO2, the molecules are connected via classical intermolecular N-H...O hydrogen bonds involving the amine and carboxyl groups [N...O = 2.7129 (15) and 2.8392 (16) A], and form chains along the b-axis direction and parallel to (-101). The chains are linked into sheets via weak non-classical hydrogen bonds. The conformation of the molecule and its packing are notably different from the monohydrated DL-proline form.