1H-Purine-2,6-dione, 3,7-dihydro-1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-


Chemical Name: 1H-Purine-2,6-dione, 3,7-dihydro-1-[(5R)-5-hydroxyhexyl]-3,7-dimethyl-
CAS Number: 100324-81-0
Product Number: AG0001MI(AGN-PC-0NUYKQ)
Synonyms:
MDL No: MFCD00867573
Molecular Formula: C13H20N4O3
Molecular Weight: 280.3229

Identification/Properties


Computed Properties
Molecular Weight:
280.328g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
5
Exact Mass:
280.154g/mol
Monoisotopic Mass:
280.154g/mol
Topological Polar Surface Area:
78.7A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
390
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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