chempirical

Chloramphenicol palmitate

C27H42Cl2N2O6CAS 530-43-8561.54 g/mol

Open in Covalent MOL file
OOHNOClClHON+OO−
AlcoholAlkyl halideEsterNitro

Properties

Molecular formula
C27H42Cl2N2O6
Molar mass
561.54 g/mol
Exact mass
560.2420 Da
Melting point
90 °C
logP
7.78Crippen estimate
Polar surface area
122.3 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
21
Stereocentres
R, Rin SMILES atom order

Identifiers

CAS number
530-43-8
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1
InChIKey
PXKHGMGELZGJQE-ILBGXUMGSA-N
InChI
InChI=1S/C27H42Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(32)37-20-23(30-27(34)26(28)29)25(33)21-16-18-22(19-17-21)31(35)36/h16-19,23,25-26,33H,2-15,20H2,1H3,(H,30,34)/t23-,25-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Hexadecanoic acid, (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
  • Palmitic acid, α-ester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
  • Hexadecanoic acid, 2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester, [R-(R*,R*)]-
  • Palmitic acid, ester with chloramphenicol
  • Hexadecanoic acid, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
  • Acetamide, 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]-, α-palmitate, D-threo-
  • Chloramphenicol palmitate (ester)
  • D-(-)-Chloramphenicol palmitate
  • Detreopal
  • Chloramphenicol monopalmitate (ester)
  • Chloramphenicol monopalmitate
  • Chloromycetin palmitate
  • Chloramphenicol α-palmitate
  • Clorolifarina
  • Chlorambon
  • Chloropal

Work with Chloramphenicol palmitate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate16255-48-4100 % similar (-)-Chloramphenicol56-75-761 % similar Thiamphenicol glycinate hydrochloride2611-61-249 % similar P-Nitrophenyl palmitate1492-30-449 % similar P-Nitrophenyl laurate1956-11-249 % similar Chloramphenicol sodium succinate982-57-048 % similar Thiamphenicol15318-45-339 % similar Florfenicol73231-34-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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