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Home Halogens (2R,3R)-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl palmitate

(2R,3R)-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl palmitate

CAS No.:
530-43-8
Catalog Number:
AG003OS0
Molecular Formula:
C27H42Cl2N2O6
Molecular Weight:
561.5382
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$57
- +
5g
98%
In Stock USA
United States
$129
- +
25g
98%
In Stock USA
United States
$364
- +
Product Description
Catalog Number:
AG003OS0
Chemical Name:
(2R,3R)-2-(2,2-Dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl palmitate
CAS Number:
530-43-8
Molecular Formula:
C27H42Cl2N2O6
Molecular Weight:
561.5382
MDL Number:
MFCD00083597
IUPAC Name:
[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] hexadecanoate
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
InChI Key:
PXKHGMGELZGJQE-ILBGXUMGSA-N
SMILES:
CCCCCCCCCCCCCCCC(=O)OC[C@H]([C@@H](c1ccc(cc1)[N+](=O)[O-])O)NC(=O)C(Cl)Cl
EC Number:
208-477-9
UNII:
43VU4207NW
Properties
Complexity:
639  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
560.242g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
561.541g/mol
Monoisotopic Mass:
560.242g/mol
Rotatable Bond Count:
21  
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9  
Literature
Title Journal
FDA-approved drugs and other compounds tested as inhibitors of human glutathione transferase P1-1. Chemico-biological interactions 20130905
A predictive ligand-based Bayesian model for human drug-induced liver injury. Drug metabolism and disposition: the biological fate of chemicals 20101201
Characterization of chloramphenicol palmitate drug polymorphs by Raman mapping with multivariate image segmentation using a spatial directed agglomeration clustering method. Analytical chemistry 20060901
Effect of a change in crystal polymorph on the degree of adhesion between micronized drug particles and large homogenous carrier particles during an interactive mixing process. Pharmaceutical development and technology 20041101
Arthroderma benhamiae infection in a rabbit. The Journal of veterinary medical science 20010801
Concordance for drug-induced aplastic anemia in identical twins. The New England journal of medicine 19690703
Properties