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148179-99-1 | 1,2-Ethanediol, 1-[4-(6-amino-9H-purin-9-yl)-2-cyclopenten-1-yl]-
CAS No: 148179-99-1 Catalog No: AG001FI3 MDL No:
Product Description
Catalog Number:
AG001FI3
Chemical Name:
1,2-Ethanediol, 1-[4-(6-amino-9H-purin-9-yl)-2-cyclopenten-1-yl]-
CAS Number:
148179-99-1
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
IUPAC Name:
1-[4-(6-aminopurin-9-yl)cyclopent-2-en-1-yl]ethane-1,2-diol
InChI:
InChI=1S/C12H15N5O2/c13-11-10-12(15-5-14-11)17(6-16-10)8-2-1-7(3-8)9(19)4-18/h1-2,5-9,18-19H,3-4H2,(H2,13,14,15)
InChI Key:
GPDOSRMBOXOSCD-UHFFFAOYSA-N
SMILES:
OCC(C1C=CC(C1)n1cnc2c1ncnc2N)O
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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