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114778-60-8 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-(3-hydroxypropoxy)-
CAS No: 114778-60-8 Catalog No: AG000F6M MDL No:
Product Description
Catalog Number:
AG000F6M
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-(3-hydroxypropoxy)-
CAS Number:
114778-60-8
Molecular Formula:
C8H11N5O3
Molecular Weight:
225.2046
IUPAC Name:
2-amino-9-(3-hydroxypropoxy)-1H-purin-6-one
InChI:
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-4-13(6)16-3-1-2-14/h4,14H,1-3H2,(H3,9,11,12,15)
InChI Key:
UWCACOXRVYDNEE-UHFFFAOYSA-N
SMILES:
OCCCOn1cnc2c1nc(N)[nH]c2=O
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.086g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
225.208g/mol
Monoisotopic Mass:
225.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
Literature
| Title | Journal |
|---|---|
| Penciclovir is a selective inhibitor of hepatitis B virus replication in cultured human hepatoblastoma cells. | Antimicrobial agents and chemotherapy 19960501 |
| Synthesis and antiviral activity of 9-alkoxypurines. 1. 9-(3-Hydroxypropoxy)- and 9-[3-hydroxymethyl)propoxy]purines. | Journal of medicinal chemistry 19900101 |
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