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756526-06-4 | 1-AMINO-3,6,9,12,15,18,21,24-OCTAOXAHEPTACOSAN-27-OIC ACID T-BUTYL ESTER
CAS No: 756526-06-4 Catalog No: AG003AEN MDL No:
Product Description
Catalog Number:
AG003AEN
Chemical Name:
1-AMINO-3,6,9,12,15,18,21,24-OCTAOXAHEPTACOSAN-27-OIC ACID T-BUTYL ESTER
CAS Number:
756526-06-4
Molecular Formula:
C23H47NO10
Molecular Weight:
497.6200
IUPAC Name:
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
InChI:
InChI=1S/C23H47NO10/c1-23(2,3)34-22(25)4-6-26-8-10-28-12-14-30-16-18-32-20-21-33-19-17-31-15-13-29-11-9-27-7-5-24/h4-21,24H2,1-3H3
InChI Key:
UMJVFHNJPJVDSB-UHFFFAOYSA-N
SMILES:
NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
497.32g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
497.626g/mol
Monoisotopic Mass:
497.32g/mol
Rotatable Bond Count:
28
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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