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88868-68-2 | Inosine, 2-(3-pyridinyl)-
CAS No: 88868-68-2 Catalog No: AG004AO6 MDL No:
Product Description
Catalog Number:
AG004AO6
Chemical Name:
Inosine, 2-(3-pyridinyl)-
CAS Number:
88868-68-2
Molecular Formula:
C15H15N5O5
Molecular Weight:
345.3101
IUPAC Name:
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-pyridin-3-yl-1H-purin-6-one
InChI:
InChI=1S/C15H15N5O5/c21-5-8-10(22)11(23)15(25-8)20-6-17-9-13(20)18-12(19-14(9)24)7-2-1-3-16-4-7/h1-4,6,8,10-11,15,21-23H,5H2,(H,18,19,24)/t8-,10-,11-,15-/m1/s1
InChI Key:
KDLAFWBQJDKNNX-ORXWAGORSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2O)c1cccnc1
Properties
Complexity:
560
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
345.107g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
345.315g/mol
Monoisotopic Mass:
345.107g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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