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Home Other Building Blocks [[2-(6-Amino-9h-purin-9-yl)ethoxy]methyl]phosphonic acid diethyl ester

[[2-(6-Amino-9h-purin-9-yl)ethoxy]methyl]phosphonic acid diethyl ester

CAS No.:
116384-53-3
Catalog Number:
AG000CD9
Molecular Formula:
C12H20N5O4P
Molecular Weight:
329.2921
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>95.0%(T)(HPLC)
1 week
United States
$164
- +
5g
>95.0%(T)(HPLC)
1 week
United States
$437
- +
Product Description
Catalog Number:
AG000CD9
Chemical Name:
[[2-(6-Amino-9h-purin-9-yl)ethoxy]methyl]phosphonic acid diethyl ester
CAS Number:
116384-53-3
Molecular Formula:
C12H20N5O4P
Molecular Weight:
329.2921
MDL Number:
MFCD07783825
IUPAC Name:
9-[2-(diethoxyphosphorylmethoxy)ethyl]purin-6-amine
InChI:
InChI=1S/C12H20N5O4P/c1-3-20-22(18,21-4-2)9-19-6-5-17-8-16-10-11(13)14-7-15-12(10)17/h7-8H,3-6,9H2,1-2H3,(H2,13,14,15)
InChI Key:
SACBMARVYGBCAK-UHFFFAOYSA-N
SMILES:
CCOP(=O)(OCC)COCCn1cnc2c1ncnc2N
EC Number:
601-426-5
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.125g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
329.297g/mol
Monoisotopic Mass:
329.125g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Literature
Title Journal
Structure-antiviral activity relationship in the series of pyrimidine and purine N-[2-(2-phosphonomethoxy)ethyl] nucleotide analogues. 1. Derivatives substituted at the carbon atoms of the base. Journal of medicinal chemistry 19990617
Synthesis, oral bioavailability determination, and in vitro evaluation of prodrugs of the antiviral agent 9-[2-(phosphonomethoxy)ethyl]adenine (PMEA). Journal of medicinal chemistry 19940610
Properties