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86256-98-6 | 3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-propyl-1H-purine-2,6-dione
CAS No: 86256-98-6 Catalog No: AG004MU2 MDL No:
Product Description
Catalog Number:
AG004MU2
Chemical Name:
3,7-Dihydro-7-(5,6-dihydroxyhexyl)-3-ethyl-1-propyl-1H-purine-2,6-dione
CAS Number:
86256-98-6
Molecular Formula:
C16H26N4O4
Molecular Weight:
338.4020
IUPAC Name:
7-(5,6-dihydroxyhexyl)-3-ethyl-1-propylpurine-2,6-dione
InChI:
InChI=1S/C16H26N4O4/c1-3-8-20-15(23)13-14(19(4-2)16(20)24)17-11-18(13)9-6-5-7-12(22)10-21/h11-12,21-22H,3-10H2,1-2H3
InChI Key:
FECYSWSLNGZYBT-UHFFFAOYSA-N
SMILES:
CCCn1c(=O)c2n(CCCCC(CO)O)cnc2n(c1=O)CC
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.195g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
338.408g/mol
Monoisotopic Mass:
338.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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