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149246-41-3 | 1H-Purine, 6,6'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis- (9CI)
CAS No: 149246-41-3 Catalog No: AG001LI0 MDL No:
Product Description
Catalog Number:
AG001LI0
Chemical Name:
1H-Purine, 6,6'-(1,4,10-trioxa-7,13-diazacyclopentadecane-7,13-diyl)bis- (9CI)
CAS Number:
149246-41-3
Molecular Formula:
C20H26N10O3
Molecular Weight:
454.4856
IUPAC Name:
7,13-bis(7H-purin-6-yl)-1,4,10-trioxa-7,13-diazacyclopentadecane
InChI:
InChI=1S/C20H26N10O3/c1-5-31-6-2-30(20-16-18(24-12-22-16)26-14-28-20)4-8-33-10-9-32-7-3-29(1)19-15-17(23-11-21-15)25-13-27-19/h11-14H,1-10H2,(H,21,23,25,27)(H,22,24,26,28)
InChI Key:
UHPNDZGXGKKNEQ-UHFFFAOYSA-N
SMILES:
O1CCN(CCOCCOCCN(CC1)c1[nH]cnc2c1ncn2)c1[nH]cnc2c1ncn2
Properties
Complexity:
544
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
454.219g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
454.495g/mol
Monoisotopic Mass:
454.219g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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