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Home > Pyridines > 882435-02-1
882435-02-1 | 2-[(3-Pyridyl)pyrrolidin-1-yl]-2’-deoxyinosine, DNA adduct
CAS No: 882435-02-1 Catalog No: AG01EEWU MDL No:
Product Description
Catalog Number:
AG01EEWU
Chemical Name:
2-[(3-Pyridyl)pyrrolidin-1-yl]-2’-deoxyinosine, DNA adduct
CAS Number:
882435-02-1
IUPAC Name:
9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-(2-pyridin-3-ylpyrrolidin-1-yl)-1H-purin-6-one
InChI:
InChI=1S/C19H22N6O4/c26-9-14-13(27)7-15(29-14)25-10-21-16-17(25)22-19(23-18(16)28)24-6-2-4-12(24)11-3-1-5-20-8-11/h1,3,5,8,10,12-15,26-27H,2,4,6-7,9H2,(H,22,23,28)
InChI Key:
QROKHOUXOSSGOR-UHFFFAOYSA-N
Properties
Complexity:
663
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.17g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
398.423g/mol
Monoisotopic Mass:
398.17g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
125A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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