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149246-42-4 | 1H-Purine, 6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis- (9CI)
CAS No: 149246-42-4 Catalog No: AG001LHZ MDL No:
Product Description
Catalog Number:
AG001LHZ
Chemical Name:
1H-Purine, 6,6'-(1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis- (9CI)
CAS Number:
149246-42-4
Molecular Formula:
C22H30N10O4
Molecular Weight:
498.5382
IUPAC Name:
7,16-bis(7H-purin-6-yl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
InChI:
InChI=1S/C22H30N10O4/c1-5-33-9-10-35-7-3-32(22-18-20(26-14-24-18)28-16-30-22)4-8-36-12-11-34-6-2-31(1)21-17-19(25-13-23-17)27-15-29-21/h13-16H,1-12H2,(H,23,25,27,29)(H,24,26,28,30)
InChI Key:
ZEALNJMXZDNVRJ-UHFFFAOYSA-N
SMILES:
C1COCCN(CCOCCOCCN(CCO1)c1[nH]cnc2c1ncn2)c1[nH]cnc2c1ncn2
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
498.245g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
498.548g/mol
Monoisotopic Mass:
498.245g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
152A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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