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18945-36-3 | Inosine, 5'-deoxy-5'-iodo-
CAS No: 18945-36-3 Catalog No: AG002DP3 MDL No:
Product Description
Catalog Number:
AG002DP3
Chemical Name:
Inosine, 5'-deoxy-5'-iodo-
CAS Number:
18945-36-3
Molecular Formula:
C10H11IN4O4
Molecular Weight:
378.1232
IUPAC Name:
9-[3,4-dihydroxy-5-(iodomethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H11IN4O4/c11-1-4-6(16)7(17)10(19-4)15-3-14-5-8(15)12-2-13-9(5)18/h2-4,6-7,10,16-17H,1H2,(H,12,13,18)
InChI Key:
NUNPMJRQMLQDQC-UHFFFAOYSA-N
SMILES:
IC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O
NSC Number:
137786
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.983g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
378.126g/mol
Monoisotopic Mass:
377.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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