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156918-08-0 | 1H-Purine-2,6-dione, 1-(7,8-dihydroxyoctyl)-3,7-dihydro-3,7-dimethyl-
CAS No: 156918-08-0 Catalog No: AG001P37 MDL No:
Product Description
Catalog Number:
AG001P37
Chemical Name:
1H-Purine-2,6-dione, 1-(7,8-dihydroxyoctyl)-3,7-dihydro-3,7-dimethyl-
CAS Number:
156918-08-0
Molecular Formula:
C15H24N4O4
Molecular Weight:
324.3755
IUPAC Name:
1-(7,8-dihydroxyoctyl)-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C15H24N4O4/c1-17-10-16-13-12(17)14(22)19(15(23)18(13)2)8-6-4-3-5-7-11(21)9-20/h10-11,20-21H,3-9H2,1-2H3
InChI Key:
VDQZHBISAJMNCZ-UHFFFAOYSA-N
SMILES:
OCC(CCCCCCn1c(=O)c2n(C)cnc2n(c1=O)C)O
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.18g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
324.381g/mol
Monoisotopic Mass:
324.18g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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