168823-76-5 Purity
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Specification
The molecular formula of H-D-Orn(Z)-oh is C13H18N2O4.
The molecular weight of H-D-Orn(Z)-oh is 266.29 g/mol.
The IUPAC name of H-D-Orn(Z)-oh is (2R)-2-amino-5-(phenylmethoxycarbonylamino)pentanoic acid.
The InChI of H-D-Orn(Z)-oh is InChI=1S/C13H18N2O4/c14-11(12(16)17)7-4-8-15-13(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H,15,18)(H,16,17)/t11-/m1/s1.
The InChIKey of H-D-Orn(Z)-oh is VULSXQYFUHKBAN-LLVKDONJSA-N.
The canonical SMILES of H-D-Orn(Z)-oh is C1=CC=C(C=C1)COC(=O)NCCCC(C(=O)O)N.
The isomeric SMILES of H-D-Orn(Z)-oh is C1=CC=C(C=C1)COC(=O)NCCC[C@H](C(=O)O)N.
The CAS number of H-D-Orn(Z)-oh is 16937-91-0.
The XLogP3-AA value of H-D-Orn(Z)-oh is -1.4.
The hydrogen bond donor count of H-D-Orn(Z)-oh is 3.