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130676-57-2 | Inosine, 2',3'-didehydro-2',3'-dideoxy-, 5'-acetate
CAS No: 130676-57-2 Catalog No: AG000USS MDL No:
Product Description
Catalog Number:
AG000USS
Chemical Name:
Inosine, 2',3'-didehydro-2',3'-dideoxy-, 5'-acetate
CAS Number:
130676-57-2
Molecular Formula:
C12H12N4O4
Molecular Weight:
276.2481
IUPAC Name:
[(2S,5R)-5-(6-oxo-1H-purin-9-yl)-2,5-dihydrofuran-2-yl]methyl acetate
InChI:
InChI=1S/C12H12N4O4/c1-7(17)19-4-8-2-3-9(20-8)16-6-15-10-11(16)13-5-14-12(10)18/h2-3,5-6,8-9H,4H2,1H3,(H,13,14,18)/t8-,9+/m0/s1
InChI Key:
GPXQOAZINYNULZ-DTWKUNHWSA-N
SMILES:
CC(=O)OC[C@@H]1C=C[C@@H](O1)n1cnc2c1ncnc2O
UNII:
P7XDZ4B2CY
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
276.086g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
276.252g/mol
Monoisotopic Mass:
276.086g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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