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155270-69-2 | Phosphonic acid, [5-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-3,3-dimethylpentyl]- (9CI)
CAS No: 155270-69-2 Catalog No: AG001NRS MDL No:
Product Description
Catalog Number:
AG001NRS
Chemical Name:
Phosphonic acid, [5-(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)-3,3-dimethylpentyl]- (9CI)
CAS Number:
155270-69-2
Molecular Formula:
C12H20N5O4P
Molecular Weight:
329.2921
IUPAC Name:
[5-(2-amino-6-oxo-1H-purin-9-yl)-3,3-dimethylpentyl]phosphonic acid
InChI:
InChI=1S/C12H20N5O4P/c1-12(2,4-6-22(19,20)21)3-5-17-7-14-8-9(17)15-11(13)16-10(8)18/h7H,3-6H2,1-2H3,(H2,19,20,21)(H3,13,15,16,18)
InChI Key:
UYGTVQNSPBEEPR-UHFFFAOYSA-N
SMILES:
Nc1[nH]c(=O)c2c(n1)n(CCC(CCP(=O)(O)O)(C)C)cn2
Properties
Complexity:
518
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:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
329.297g/mol
Monoisotopic Mass:
329.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1
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