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128631-61-8 | 6H-Purin-6-one, 2-amino-9-(3,5-dihydroxypentyl)-1,9-dihydro-
CAS No: 128631-61-8 Catalog No: AG000Y8Z MDL No:
Product Description
Catalog Number:
AG000Y8Z
Chemical Name:
6H-Purin-6-one, 2-amino-9-(3,5-dihydroxypentyl)-1,9-dihydro-
CAS Number:
128631-61-8
Molecular Formula:
C10H15N5O3
Molecular Weight:
253.2578
IUPAC Name:
2-amino-9-(3,5-dihydroxypentyl)-1H-purin-6-one
InChI:
InChI=1S/C10H15N5O3/c11-10-13-8-7(9(18)14-10)12-5-15(8)3-1-6(17)2-4-16/h5-6,16-17H,1-4H2,(H3,11,13,14,18)
InChI Key:
OQAWLTUIWVZUEY-UHFFFAOYSA-N
SMILES:
OCCC(CCn1cnc2c1nc(N)[nH]c2=O)O
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.117g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
253.262g/mol
Monoisotopic Mass:
253.117g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
126A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
Literature
| Title | Journal |
|---|---|
| Synthesis of new (+-)-3,5-dihydroxypentyl nucleoside analogues from 1-amino-5-(benzyloxy)pentan-3-ol and their antiviral evaluation. | Journal of medicinal chemistry 19900901 |
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