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263767-85-7 | 1,4,7,16,19-Pentaoxa-10,13,22,25-tetraazacycloheptacosane-9,12,23,26-tetrone, 11,24-dimethyl-, (11S,24S)-
CAS No: 263767-85-7 Catalog No: AG002SXO MDL No:
Product Description
Catalog Number:
AG002SXO
Chemical Name:
1,4,7,16,19-Pentaoxa-10,13,22,25-tetraazacycloheptacosane-9,12,23,26-tetrone, 11,24-dimethyl-, (11S,24S)-
CAS Number:
263767-85-7
Molecular Formula:
C20H36N4O9
Molecular Weight:
476.5212
IUPAC Name:
(11S,24S)-11,24-dimethyl-1,4,7,16,19-pentaoxa-10,13,22,25-tetrazacycloheptacosane-9,12,23,26-tetrone
InChI:
InChI=1S/C20H36N4O9/c1-15-19(27)21-3-5-29-7-8-30-6-4-22-20(28)16(2)24-18(26)14-33-12-10-31-9-11-32-13-17(25)23-15/h15-16H,3-14H2,1-2H3,(H,21,27)(H,22,28)(H,23,25)(H,24,26)/t15-,16-/m0/s1
InChI Key:
LSIJXRJUOMASAO-HOTGVXAUSA-N
SMILES:
O=C1COCCOCCOCC(=O)N[C@@H](C)C(=O)NCCOCCOCCNC(=O)[C@@H](N1)C
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
476.248g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
476.527g/mol
Monoisotopic Mass:
476.248g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
163A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.6
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