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79688-22-5 | 1,4,7,10,13,16,19,25,28,31-Decaoxa-22,34-diazacyclohexatriacontane-3,17,21,35-tetrone
CAS No: 79688-22-5 Catalog No: AG005IMW MDL No:
Product Description
Catalog Number:
AG005IMW
Chemical Name:
1,4,7,10,13,16,19,25,28,31-Decaoxa-22,34-diazacyclohexatriacontane-3,17,21,35-tetrone
CAS Number:
79688-22-5
Molecular Formula:
C24H42N2O14
Molecular Weight:
582.5953
IUPAC Name:
1,4,7,10,13,16,19,25,28,31-decaoxa-22,34-diazacyclohexatriacontane-3,17,21,35-tetrone
InChI:
InChI=1S/C24H42N2O14/c27-21-17-37-19-23(29)39-15-13-35-11-9-34-10-12-36-14-16-40-24(30)20-38-18-22(28)26-2-4-32-6-8-33-7-5-31-3-1-25-21/h1-20H2,(H,25,27)(H,26,28)
InChI Key:
VNINGAYNLDPERM-UHFFFAOYSA-N
SMILES:
O=C1NCCOCCOCCOCCNC(=O)COCC(=O)OCCOCCOCCOCCOC(=O)COC1
Properties
Complexity:
628
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
582.264g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
14
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
582.6g/mol
Monoisotopic Mass:
582.264g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
185A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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