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124076-74-0 | Phosphonic acid, [[2-[(6-amino-9H-purin-9-yl)oxy]ethoxy]methyl]- (9CI)
CAS No: 124076-74-0 Catalog No: AG000LJC MDL No:
Product Description
Catalog Number:
AG000LJC
Chemical Name:
Phosphonic acid, [[2-[(6-amino-9H-purin-9-yl)oxy]ethoxy]methyl]- (9CI)
CAS Number:
124076-74-0
Molecular Formula:
C8H12N5O5P
Molecular Weight:
289.1851
IUPAC Name:
2-(6-aminopurin-9-yl)oxyethoxymethylphosphonic acid
InChI:
InChI=1S/C8H12N5O5P/c9-7-6-8(11-3-10-7)13(4-12-6)18-2-1-17-5-19(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
InChI Key:
HRVFEVBDZIXIGY-UHFFFAOYSA-N
SMILES:
Nc1ncnc2c1ncn2OCCOCP(=O)(O)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.188g/mol
Monoisotopic Mass:
289.058g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.5
Literature
| Title | Journal |
|---|---|
| Penciclovir is a selective inhibitor of hepatitis B virus replication in cultured human hepatoblastoma cells. | Antimicrobial agents and chemotherapy 19960501 |
| Novel acyclonucleotides: synthesis and antiviral activity of alkenylphosphonic acid derivatives of purines and a pyrimidine. | Journal of medicinal chemistry 19930514 |
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