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180587-75-1

180587-75-1 | Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, diethyl ester

CAS No: 180587-75-1 Catalog No: AG002254 MDL No:

Product Description

Catalog Number:
AG002254
Chemical Name:
Phosphonic acid, P-[[(1R)-2-(6-amino-9H-purin-9-yl)-1-methylethoxy]methyl]-, diethyl ester
CAS Number:
180587-75-1
Molecular Formula:
C13H22N5O4P
Molecular Weight:
343.3186
IUPAC Name:
9-[(2R)-2-(diethoxyphosphorylmethoxy)propyl]purin-6-amine
InChI:
InChI=1S/C13H22N5O4P/c1-4-21-23(19,22-5-2)9-20-10(3)6-18-8-17-11-12(14)15-7-16-13(11)18/h7-8,10H,4-6,9H2,1-3H3,(H2,14,15,16)/t10-/m1/s1
InChI Key:
GCOFRXOOFANVPB-SNVBAGLBSA-N
SMILES:
CCOP(=O)(CO[C@@H](Cn1cnc2c1ncnc2N)C)OCC
EC Number:
605-902-3

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
343.141g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
343.324g/mol
Monoisotopic Mass:
343.141g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  

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