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86357-14-4 | Acetamide,N-[9-[[2-(acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-
CAS No: 86357-14-4 Catalog No: AG004PZY MDL No:MFCD08457700
Product Description
Catalog Number:
AG004PZY
Chemical Name:
Acetamide,N-[9-[[2-(acetyloxy)-1-[(acetyloxy)methyl]ethoxy]methyl]-6,9-dihydro-6-oxo-1H-purin-2-yl]-
CAS Number:
86357-14-4
Molecular Formula:
C15H19N5O7
Molecular Weight:
381.3407
MDL Number:
MFCD08457700
IUPAC Name:
[2-[(2-acetamido-6-oxo-1H-purin-9-yl)methoxy]-3-acetyloxypropyl] acetate
InChI:
InChI=1S/C15H19N5O7/c1-8(21)17-15-18-13-12(14(24)19-15)16-6-20(13)7-27-11(4-25-9(2)22)5-26-10(3)23/h6,11H,4-5,7H2,1-3H3,(H2,17,18,19,21,24)
InChI Key:
PEZKHGVZZSQDPY-UHFFFAOYSA-N
SMILES:
CC(=O)OCC(OCn1cnc2c1nc(NC(=O)C)[nH]c2=O)COC(=O)C
Properties
Complexity:
620
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
381.128g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
381.345g/mol
Monoisotopic Mass:
381.128g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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