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131242-47-2 | 3,14-Dioxa-5,12-diazahexadecanedioic acid, 4,13-dioxo-, 1,16-diethyl ester
CAS No: 131242-47-2 Catalog No: AG000VS4 MDL No:
Product Description
Catalog Number:
AG000VS4
Chemical Name:
3,14-Dioxa-5,12-diazahexadecanedioic acid, 4,13-dioxo-, 1,16-diethyl ester
CAS Number:
131242-47-2
Molecular Formula:
C16H28N2O8
Molecular Weight:
376.4021
IUPAC Name:
ethyl 2-[6-[(2-ethoxy-2-oxoethoxy)carbonylamino]hexylcarbamoyloxy]acetate
InChI:
InChI=1S/C16H28N2O8/c1-3-23-13(19)11-25-15(21)17-9-7-5-6-8-10-18-16(22)26-12-14(20)24-4-2/h3-12H2,1-2H3,(H,17,21)(H,18,22)
InChI Key:
ARVGLJBJNQVNTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC(=O)NCCCCCCNC(=O)OCC(=O)OCC
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.185g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.406g/mol
Monoisotopic Mass:
376.185g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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