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Chloramphenicol Palmitate
CAS: 530-43-8 | C27H42Cl2N2O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
530-43-8
Molecular Formula:
C27H42Cl2N2O6
Molecular Mass:
561.55 g/mol
Names and Synonyms:
Chloramphenicol Palmitate
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
Chloramphenicol palmitate (ester)
D-(-)-Chloramphenicol palmitate
Detreopal
Chloramphenicol monopalmitate (ester)
Chloramphenicol monopalmitate
Chloromycetin palmitate
Chloramphenicol α-palmitate
Clorolifarina
Chlorambon
Chloropal
Identifiers:
SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1
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
Key Properties
Melting Point
90 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 561.55 g/mol | CAS Common Chemistry |
| 561.5470000000001 g/mol | RDKit | |
| 560.241992424 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O)CCCCCCCCCCCCCCC | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=PXKHGMGELZGJQE-ILBGXUMGSA-N | CAS Common Chemistry |
| Melting Point | 90 °C | CAS Common Chemistry |
| Name | Chloramphenicol palmitate | CAS Common Chemistry |
| Heavy Atom Count | 37 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 21 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 122.26000000000002 Ų | RDKit |
| LogP | 7.781500000000009 | RDKit |
| Molar Refractivity | 148.67299999999986 | RDKit |
