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132560-19-1 | 1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1-methyl-3-(2-methylpropyl)-
CAS No: 132560-19-1 Catalog No: AG0010TY MDL No:
Product Description
Catalog Number:
AG0010TY
Chemical Name:
1H-Purine-2,6-dione, 7-(1,3-dioxolan-2-ylmethyl)-3,7-dihydro-1-methyl-3-(2-methylpropyl)-
CAS Number:
132560-19-1
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
IUPAC Name:
7-(1,3-dioxolan-2-ylmethyl)-1-methyl-3-(2-methylpropyl)purine-2,6-dione
InChI:
InChI=1S/C14H20N4O4/c1-9(2)6-18-12-11(13(19)16(3)14(18)20)17(8-15-12)7-10-21-4-5-22-10/h8-10H,4-7H2,1-3H3
InChI Key:
RAPXINMKJXAUTR-UHFFFAOYSA-N
SMILES:
CC(Cn1c(=O)n(C)c(=O)c2c1ncn2CC1OCCO1)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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