(2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate

C₂₉H₄₆Cl₂N₂O₆CAS 16255-48-4589.60 g/mol

Open in Covalent MOL file

Alcohol Ester Halogen Nitro Tertiary Amine

Properties

Molecular formula: C₂₉H₄₆Cl₂N₂O₆
Molar mass: 589.60 g/mol
Exact mass: 588.2733 Da
Melting point: 97–98 °C
logP: 8.56Crippen estimate
Polar surface area: 122.3 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 23

Identifiers

CAS number

16255-48-4

SMILES

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](N=C(O)C(Cl)Cl)[C@H](O)c1ccc([N+](=O)[O-])cc1

InChIKey

IDWDXHQLOMJDRU-XNMGPUDCSA-N

InChI

InChI=1S/C29H46Cl2N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(34)39-22-25(32-29(36)28(30)31)27(35)23-18-20-24(21-19-23)33(37)38/h18-21,25,27-28,35H,2-17,22H2,1H3,(H,32,36)/t25-,27-/m1/s1

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Names and synonyms

12 names

Octadecanoic acid, (2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
Stearic acid, α-ester with D-threo-(-)-2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
Octadecanoic acid, 2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester, [R-(R*,R*)]-
Stearic acid, α-ester with 2,2-dichloro-N-[β-hydroxy-α-(hydroxymethyl)-p-nitrophenethyl]acetamide
Octadecanoic 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-stearate, D-threo-(-)-
Chloramphenicol stearate
Stearic acid, ester with chloramphenicol
Chloramphenicol stearic acid ester
Eusynthomycin
Madomicetina
Levomycetin stearate

Work with (2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate

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

Elsewhere

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