200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 140939-19-1
140939-19-1 | D-Valine, N-methyl-N-octyl-3-(octylthio)-
CAS No: 140939-19-1 Catalog No: AG001FNH MDL No:
Product Description
Catalog Number:
AG001FNH
Chemical Name:
D-Valine, N-methyl-N-octyl-3-(octylthio)-
CAS Number:
140939-19-1
Molecular Formula:
C22H45NO2S
Molecular Weight:
387.6632
IUPAC Name:
3-methyl-2-[methyl(octyl)amino]-3-octylsulfanylbutanoic acid
InChI:
InChI=1S/C22H45NO2S/c1-6-8-10-12-14-16-18-23(5)20(21(24)25)22(3,4)26-19-17-15-13-11-9-7-2/h20H,6-19H2,1-5H3,(H,24,25)
InChI Key:
CWXKNZRPQNTNNB-UHFFFAOYSA-N
SMILES:
CCCCCCCCSC([C@@H](N(CCCCCCCC)C)C(=O)O)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
387.317g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.667g/mol
Monoisotopic Mass:
387.317g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.