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23392-10-1 | Xanthosine, 1-methyl-
CAS No: 23392-10-1 Catalog No: AG002N26 MDL No:
Product Description
Catalog Number:
AG002N26
Chemical Name:
Xanthosine, 1-methyl-
CAS Number:
23392-10-1
Molecular Formula:
C11H14N4O6
Molecular Weight:
298.2521
IUPAC Name:
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-3H-purine-2,6-dione
InChI:
InChI=1S/C11H14N4O6/c1-14-9(19)5-8(13-11(14)20)15(3-12-5)10-7(18)6(17)4(2-16)21-10/h3-4,6-7,10,16-18H,2H2,1H3,(H,13,20)/t4-,6-,7-,10-/m1/s1
InChI Key:
SOBHTUPJYFGBBX-KQYNXXCUSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1[nH]c(=O)n(c2=O)C
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
298.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
298.255g/mol
Monoisotopic Mass:
298.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.2
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