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Home > Other Building Blocks > 79688-19-0
79688-19-0 | 1,4,7,10,13,21,24,27-Octaoxa-18,30-diazacyclotetratriacontane-14,17,31,34-tetrone
CAS No: 79688-19-0 Catalog No: AG005IMX MDL No:
Product Description
Catalog Number:
AG005IMX
Chemical Name:
1,4,7,10,13,21,24,27-Octaoxa-18,30-diazacyclotetratriacontane-14,17,31,34-tetrone
CAS Number:
79688-19-0
Molecular Formula:
C24H42N2O12
Molecular Weight:
550.5965
IUPAC Name:
1,4,7,10,13,21,24,27-octaoxa-18,30-diazacyclotetratriacontane-14,17,31,34-tetrone
InChI:
InChI=1S/C24H42N2O12/c27-21-1-3-23(29)37-19-17-35-15-13-34-14-16-36-18-20-38-24(30)4-2-22(28)26-6-8-32-10-12-33-11-9-31-7-5-25-21/h1-20H2,(H,25,27)(H,26,28)
InChI Key:
UCYQRXGXKUSCAZ-UHFFFAOYSA-N
SMILES:
O=C1NCCOCCOCCOCCNC(=O)CCC(=O)OCCOCCOCCOCCOC(=O)CC1
Properties
Complexity:
598
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
550.274g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
550.602g/mol
Monoisotopic Mass:
550.274g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
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