Home Other Building Blocks Hexafluoroacetone sesquihydrate

Hexafluoroacetone sesquihydrate

CAS No.:
13098-39-0
Catalog Number:
AG000V74
Molecular Formula:
C6H6F12O5
Molecular Weight:
386.0897
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$32
- +
100g
98%
In Stock USA
United States
$87
- +
500g
98%
In Stock USA
United States
$350
- +
Product Description
Catalog Number:
AG000V74
Chemical Name:
Hexafluoroacetone sesquihydrate
CAS Number:
13098-39-0
Molecular Formula:
C6H6F12O5
Molecular Weight:
386.0897
MDL Number:
MFCD06800792
IUPAC Name:
1,1,1,3,3,3-hexafluoropropan-2-one;trihydrate
InChI:
InChI=1S/2C3F6O.3H2O/c2*4-2(5,6)1(10)3(7,8)9;;;/h;;3*1H2
InChI Key:
VAIZVCMDJPBJCM-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F.O.O.O
UNII:
CU1NOZ8PS6
UN Number:
2552
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
5  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.002g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
17  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
386.09g/mol
Monoisotopic Mass:
386.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Gas chromatography-mass spectrometry of hexafluoroacetone derivatives: First time utilization of a gaseous phase derivatizing agent for analysis of extraterrestrial amino acids. Journal of chromatography. A 20120706
Conformational landscape of N-glycosylated peptides detecting autoantibodies in multiple sclerosis, revealed by Hamiltonian replica exchange. The journal of physical chemistry. B 20120510
2,3-Dimethyl-2-butene (TME) ozonolysis: pressure dependence of stabilized Criegee intermediates and evidence of stabilized vinyl hydroperoxides. The journal of physical chemistry. A 20110120
A novel protecting/activating strategy for beta-hydroxy acids and its use in convergent peptide synthesis. The Journal of organic chemistry 20080321
Silklike materials constructed from sequences of Bombyx mori silk fibroin, fibronectin, and elastin. Journal of biomedical materials research. Part A 20080201
Hepatic sequestration of chlordecone and hexafluoroacetone evaluated by pharmacokinetic modeling. Toxicology 20070505
Conformational equilibria in formic acid and the adduct of formic acid and hexafluoroacetone, HCO2C(CF3)2OH. The Journal of organic chemistry 20070316
Hexafluoroacetone as protecting and activating reagent: new routes to amino, hydroxy, and mercapto acids and their application for peptide and glyco- and depsipeptide modification. Chemical reviews 20061101
Distinctive influence of two hexafluoro solvents on the structural stabilization of Bombyx mori silk fibroin protein and its derived peptides: 13C NMR and CD studies. Biomacromolecules 20060101
Hexafluoroacetone as protecting and activating reagent: site-selective functionalization of iminodiacetic acid. Amino acids 20041201
Structure and solvation of melittin in hexafluoroacetone/water. Biopolymers 20040615
Conformation of the cecropin-melittin hybrid, cecropin A(1-8)-melittin (1-18) antibacterial Peptide. Protein and peptide letters 20040401
Environmental mimic of receptor interaction: conformational analysis of CCK-15 in solution. Journal of medicinal chemistry 20020214
Conformation of N-terminal HIV-1 Tat (fragment 1-9) peptide by NMR and MD simulations. Journal of peptide science : an official publication of the European Peptide Society 20011101
Properties