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1215101-40-8

1215101-40-8 | Propanoic acid, 2,2-dimethyl-, 1,1'-[[[[2-[6-[(2,2-dimethyl-1-oxopropyl)amino]-9H-purin-9-yl]ethoxy]methyl]phosphinylidene]bis(oxymethylene)] ester

CAS No: 1215101-40-8 Catalog No: AG00153Y MDL No:

Product Description

Catalog Number:
AG00153Y
Chemical Name:
Propanoic acid, 2,2-dimethyl-, 1,1'-[[[[2-[6-[(2,2-dimethyl-1-oxopropyl)amino]-9H-purin-9-yl]ethoxy]methyl]phosphinylidene]bis(oxymethylene)] ester
CAS Number:
1215101-40-8
IUPAC Name:
[2-[6-(2,2-dimethylpropanoylamino)purin-9-yl]ethoxymethyl-(2,2-dimethylpropanoyloxymethoxy)phosphoryl]oxymethyl 2,2-dimethylpropanoate
InChI:
InChI=1S/C25H40N5O9P/c1-23(2,3)20(31)29-18-17-19(27-12-26-18)30(13-28-17)10-11-35-16-40(34,38-14-36-21(32)24(4,5)6)39-15-37-22(33)25(7,8)9/h12-13H,10-11,14-16H2,1-9H3,(H,26,27,29,31)
InChI Key:
APRPNPWRQHFUDM-UHFFFAOYSA-N

Properties

Complexity:
893  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
585.256g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
12  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
585.595g/mol
Monoisotopic Mass:
585.256g/mol
Rotatable Bond Count:
17  
Topological Polar Surface Area:
170A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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