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84499-67-2 | 4-{2-[(2-AMINO-6-OXO-1,4,5,6-TETRAHYDRO-9H-PURIN-9-YL)METHOXY]ETHOXY}-4-OXOBUTANOIC ACID
CAS No: 84499-67-2 Catalog No: AG0054QH MDL No:
Product Description
Catalog Number:
AG0054QH
Chemical Name:
4-{2-[(2-AMINO-6-OXO-1,4,5,6-TETRAHYDRO-9H-PURIN-9-YL)METHOXY]ETHOXY}-4-OXOBUTANOIC ACID
CAS Number:
84499-67-2
Molecular Formula:
C12H17N5O6
Molecular Weight:
327.2933
IUPAC Name:
4-[2-[(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)methoxy]ethoxy]-4-oxobutanoic acid
InChI:
InChI=1S/C12H17N5O6/c13-12-15-10-9(11(21)16-12)14-5-17(10)6-22-3-4-23-8(20)2-1-7(18)19/h5,9-10H,1-4,6H2,(H,18,19)(H3,13,15,16,21)
InChI Key:
GFTOQVCQFJPLTE-UHFFFAOYSA-N
SMILES:
OC(=O)CCC(=O)OCCOCN1C=NC2C1N=C(N)NC2=O
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.118g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
327.297g/mol
Monoisotopic Mass:
327.118g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
156A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.7
Literature
| Title | Journal |
|---|---|
| Synthesis and antiviral activity of water-soluble esters of acyclovir [9-[(2-hydroxyethoxy)methyl]guanine]. | Journal of medicinal chemistry 19830401 |
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