D-ERYTHRO-CHLORAMPHENICOL
C₁₁H₁₂Cl₂N₂O₅·323.130 g/mol·CID 146034
IUPAC: 2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide
Also known as: 7387-98-6, 2,2-dichloro-N-[(1S,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide, Acetamide, 2,2-dichloro-N-(2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl)-, (S-(R*,S*))-, [S-(R*,S*)]-2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-acetamide; D-erythro-2,2-Dichloro-N-[ss-hydroxy-a-(hydroxymethyl)-p-nitrophenethyl]-acetamide; D-erythro-(1S,2R)-1-p-Nitrophenyl-2-dichloroacetamido-1,3-propanediol, Prestwick0_000031 (+12 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
323.130g/mol
Exact Mass
322.012327Da
Monoisotopic Mass
322.012327Da
XLogP
1.1
Polar Surface Area
115.0Ų
Complexity
342
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
5
Rotatable Bonds
5
Heavy Atoms
20
Stereo Centers
2
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 323.1 g/mol
MW ≤ 500
✓ 1.1
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 5
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)/t8-,9+/m1/s1