30363-03-2 Purity
95%
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Specification
The molecular formula of GHB(RG) is C11H14N2O4.
The molecular weight of GHB(RG) is 238.24 g/mol.
The IUPAC name of GHB(RG) is (2S)-2-amino-5-(4-hydroxyanilino)-5-oxopentanoic acid.
The InChI of GHB(RG) is InChI=1S/C11H14N2O4/c12-9(11(16)17)5-6-10(15)13-7-1-3-8(14)4-2-7/h1-4,9,14H,5-6,12H2,(H,13,15)(H,16,17)/t9-/m0/s1.
The InChIKey of GHB(RG) is LOTUEIYQWILGCV-VIFPVBQESA-N.
The canonical SMILES of GHB(RG) is C1=CC(=CC=C1NC(=O)CCC(C(=O)O)N)O.
The isomeric SMILES of GHB(RG) is C1=CC(=CC=C1NC(=O)CC[C@@H](C(=O)O)N)O.
The CAS number of GHB(RG) is 30382-24-2.
The ChEMBL ID of GHB(RG) is CHEMBL3244471.
The molecular weight of GHB(RG) is 238.24 g/mol.
The XLogP3-AA of GHB(RG) is -2.6.
The hydrogen bond donor count of GHB(RG) is 4.
The hydrogen bond acceptor count of GHB(RG) is 5.
The rotatable bond count of GHB(RG) is 5.