200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 140939-18-0
140939-18-0 | D-Valine, N-octyl-3-(octylthio)-
CAS No: 140939-18-0 Catalog No: AG001FNI MDL No:
Product Description
Catalog Number:
AG001FNI
Chemical Name:
D-Valine, N-octyl-3-(octylthio)-
CAS Number:
140939-18-0
Molecular Formula:
C21H43NO2S
Molecular Weight:
373.6366
IUPAC Name:
(2S)-3-methyl-2-(octylamino)-3-octylsulfanylbutanoic acid
InChI:
InChI=1S/C21H43NO2S/c1-5-7-9-11-13-15-17-22-19(20(23)24)21(3,4)25-18-16-14-12-10-8-6-2/h19,22H,5-18H2,1-4H3,(H,23,24)/t19-/m0/s1
InChI Key:
XNUOJIFSUVIANV-IBGZPJMESA-N
SMILES:
CCCCCCCCN[C@H](C(SCCCCCCCC)(C)C)C(=O)O
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
373.301g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
373.64g/mol
Monoisotopic Mass:
373.301g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.