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89290-56-2 | Docosanoic acid, 2-[dodecyl[2-(sulfooxy)ethyl]amino]ethyl ester
CAS No: 89290-56-2 Catalog No: AG00414N MDL No:
Product Description
Catalog Number:
AG00414N
Chemical Name:
Docosanoic acid, 2-[dodecyl[2-(sulfooxy)ethyl]amino]ethyl ester
CAS Number:
89290-56-2
Molecular Formula:
C38H77NO6S
Molecular Weight:
676.0861
IUPAC Name:
2-[dodecyl(2-sulfooxyethyl)amino]ethyl docosanoate
InChI:
InChI=1S/C38H77NO6S/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-26-28-30-32-38(40)44-36-34-39(35-37-45-46(41,42)43)33-31-29-27-25-14-12-10-8-6-4-2/h3-37H2,1-2H3,(H,41,42,43)
InChI Key:
FZBCOCCXIUUUBY-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCN(CCOS(=O)(=O)O)CCCCCCCCCCCC
Properties
Complexity:
727
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
675.547g/mol
Formal Charge:
0
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
676.095g/mol
Monoisotopic Mass:
675.547g/mol
Rotatable Bond Count:
39
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13
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