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144084-39-9 | 9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester
CAS No: 144084-39-9 Catalog No: AG001IVL MDL No:
Product Description
Catalog Number:
AG001IVL
Chemical Name:
9H-Purine-9-acetic acid, 2-amino-6-(phenylmethoxy)-, ethyl ester
CAS Number:
144084-39-9
Molecular Formula:
C16H17N5O3
Molecular Weight:
327.3379
IUPAC Name:
ethyl 2-(2-amino-6-phenylmethoxypurin-9-yl)acetate
InChI:
InChI=1S/C16H17N5O3/c1-2-23-12(22)8-21-10-18-13-14(21)19-16(17)20-15(13)24-9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H2,17,19,20)
InChI Key:
QFJMSHMOTFCDOL-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnc2c1nc(N)nc2OCc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.133g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.344g/mol
Monoisotopic Mass:
327.133g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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