(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
OOHNOClClHON+OO−
AlcoholAlkyl halideEsterNitro

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 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
23
Stereocentres
R, Rin SMILES atom order

Hazards

Warning
Health Hazard (GHS08)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

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

13 names · show all
  • (2R,3R)-2-[(2,2-Dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl octadecanoate
  • 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

Similar compounds

Chloramphenicol palmitate530-43-8100 % similar (-)-Chloramphenicol56-75-761 % similar Thiamphenicol aminoacetate hydrochloride2611-61-249 % similar p-Nitrophenyl palmitate1492-30-449 % similar p-Nitrophenyl laurate1956-11-249 % similar Chloramphenicol sodium succinate982-57-048 % similar Chloramphenicol2787-09-941 % similar Thiamphenicol15318-45-339 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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