Home Carbonyls 9H-Purine-9-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-

9H-Purine-9-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-

CAS No.:
186046-99-1
Catalog Number:
AG00I1QD
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00I1QD
Chemical Name:
9H-Purine-9-acetic acid, 6-[[(1,1-dimethylethoxy)carbonyl]amino]-
CAS Number:
186046-99-1
MDL Number:
MFCD24465997
IUPAC Name:
2-[6-[(2-methylpropan-2-yl)oxycarbonylamino]purin-9-yl]acetic acid
InChI:
InChI=1S/C12H15N5O4/c1-12(2,3)21-11(20)16-9-8-10(14-5-13-9)17(6-15-8)4-7(18)19/h5-6H,4H2,1-3H3,(H,18,19)(H,13,14,16,20)
InChI Key:
BQWXVHALCKHHGO-UHFFFAOYSA-N
Properties
Complexity:
411  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.112g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
293.283g/mol
Monoisotopic Mass:
293.112g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties