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156918-13-7 | 1H-Purine-2,6-dione, 1-(9,10-dihydroxydecyl)-3,7-dihydro-3,7-dimethyl-
CAS No: 156918-13-7 Catalog No: AG001P36 MDL No:
Product Description
Catalog Number:
AG001P36
Chemical Name:
1H-Purine-2,6-dione, 1-(9,10-dihydroxydecyl)-3,7-dihydro-3,7-dimethyl-
CAS Number:
156918-13-7
Molecular Formula:
C17H28N4O4
Molecular Weight:
352.4286
IUPAC Name:
1-(9,10-dihydroxydecyl)-3,7-dimethylpurine-2,6-dione
InChI:
InChI=1S/C17H28N4O4/c1-19-12-18-15-14(19)16(24)21(17(25)20(15)2)10-8-6-4-3-5-7-9-13(23)11-22/h12-13,22-23H,3-11H2,1-2H3
InChI Key:
OAYPVDLTONFWIC-UHFFFAOYSA-N
SMILES:
OCC(CCCCCCCCn1c(=O)n(C)c2c(c1=O)n(C)cn2)O
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.211g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
352.435g/mol
Monoisotopic Mass:
352.211g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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