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114809-39-1 | 6H-Purin-6-one, 2-amino-1,9-dihydro-9-[3-hydroxy-2-(hydroxymethyl)propoxy]-
CAS No: 114809-39-1 Catalog No: AG000F9N MDL No:
Product Description
Catalog Number:
AG000F9N
Chemical Name:
6H-Purin-6-one, 2-amino-1,9-dihydro-9-[3-hydroxy-2-(hydroxymethyl)propoxy]-
CAS Number:
114809-39-1
Molecular Formula:
C9H13N5O4
Molecular Weight:
255.2306
IUPAC Name:
2-amino-9-[3-hydroxy-2-(hydroxymethyl)propoxy]-1H-purin-6-one
InChI:
InChI=1S/C9H13N5O4/c10-9-12-7-6(8(17)13-9)11-4-14(7)18-3-5(1-15)2-16/h4-5,15-16H,1-3H2,(H3,10,12,13,17)
InChI Key:
LGERQLHLISVRPT-UHFFFAOYSA-N
SMILES:
OCC(COn1cnc2c1nc(N)[nH]c2=O)CO
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.097g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
255.234g/mol
Monoisotopic Mass:
255.097g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8
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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