Product name:Chloramphenicol Glycinate
CAS No.:2980-74-7
Synonyms:
Chloramphenicol glycinate
EINECS 221-038-6
LS-72621
2-((Dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl (R-(R*,R*))-aminoacetate
Glycine, 2-((dichloroacetyl)amino)-3-hydroxy-3-(4-nitrophenyl)propyl ester, (R-(R*,R*))-
Glycine, alpha-ester with 2,2-dichloro-N-(beta-hydroxy-alpha-(hydroxymethyl)-p-nitrophenethyl)acetamide, D-threo-(-)-
Properties Computed from Structure：
Molecular Weight 380.1807 [g/mol]
Molecular Formula C13H15Cl2N3O6
XLogP 0.3
H-Bond Donor 3
H-Bond Acceptor 7
Rotatable Bond Count 8
Tautomer Count 2
Exact Mass 379.033791
MonoIsotopic Mass 379.033791
Topological Polar Surface Area 145
Heavy Atom Count 24
Formal Charge 0
Complexity 452
Isotope Atom Count 0
Defined Atom StereoCenter Count 2
Undefined Atom StereoCenter Count 0
Defined Bond StereoCenter Count 0
Undefined Bond StereoCenter Count 0
Covalently-Bonded Unit Count 1
Descriptors Computed from Structure：
IUPAC Name: [(2R,3R)-2-[(2,
2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl]
2-aminoacetate
Canonical SMILES: C1=CC(=CC=C1C(C(COC(=O)CN)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
Isomeric SMILES: C1=CC(=CC=C1[C@H]([C@@H](COC(=O)CN)NC(=O)C(Cl)Cl)O)[N+](=O)[O-]
InChI: InChI=1/C13H15Cl2N3O6/c14-12(15)13(21)17-9(6-24-10(19)5-16)11(20)7-1-3-8
(4-2-7)18(22)23/h1-4,9,11-12,20H,5-6,16H2,(H,17,21)/t9-,11-/m1/s1/f/h17H