1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-


Chemical Name: 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
CAS Number: 479-18-5
Product Number: AG006YEZ(AGN-PC-0JK6H9)
Synonyms:
MDL No:
Molecular Formula: C10H14N4O4
Molecular Weight: 254.2426

Identification/Properties


Computed Properties
Molecular Weight:
254.246g/mol
XLogP3:
-1.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
3
Exact Mass:
254.102g/mol
Monoisotopic Mass:
254.102g/mol
Topological Polar Surface Area:
98.9A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
364
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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