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Molecule
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
Identifiers
CAS Registry Number
530-43-8
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1
InChI Key
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
Names and Synonyms
- Chloramphenicol Palmitate Synonym
- Hexadecanoic acid, (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester Synonym
- Palmitic acid, α-ester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide Synonym
- Hexadecanoic acid, 2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester, [R-(R*,R*)]- Synonym
- Palmitic acid, ester with chloramphenicol Synonym
- Hexadecanoic acid, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester Synonym
- Acetamide, 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]-, α-palmitate, D-threo- Synonym
- Chloramphenicol palmitate Synonym
- Chloramphenicol palmitate (ester) Synonym
- D-(-)-Chloramphenicol palmitate Synonym
- Detreopal Synonym
- Chloramphenicol monopalmitate (ester) Synonym
- Chloramphenicol monopalmitate Synonym
- Chloromycetin palmitate Synonym
- Chloramphenicol α-palmitate Synonym
- Clorolifarina Synonym
- Chlorambon Synonym
- Chloropal Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 561.55 g/mol | CAS Common Chemistry |
| 561.5470000000001 g/mol | RDKit | |
| 561.547 g/mol | RDKit | |
| 561.541 g/mol | chempirical lib | |
| 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 |
| 122.26 Ų | RDKit | |
| 117.42 Ų | chempirical lib | |
| LogP | 7.781500000000009 | RDKit |
| 7.7815 | RDKit | |
| 7.29 | chempirical lib | |
| Molar Refractivity | 148.67299999999986 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7037 | RDKit |
| 0.7 | chempirical lib | |
| Exact Mass | 560.241992424 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 561.55 g/mol. Edit any field — others recompute live.
