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130676-58-3 | Inosine, 2',3'-dideoxy-, 5'-acetate (9CI)
CAS No: 130676-58-3 Catalog No: AG000USR MDL No:
Product Description
Catalog Number:
AG000USR
Chemical Name:
Inosine, 2',3'-dideoxy-, 5'-acetate (9CI)
CAS Number:
130676-58-3
Molecular Formula:
C12H14N4O4
Molecular Weight:
278.2640
IUPAC Name:
9-[(2R,5S)-5-(1-hydroxy-2-oxopropyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C12H14N4O4/c1-6(17)10(18)7-2-3-8(20-7)16-5-15-9-11(16)13-4-14-12(9)19/h4-5,7-8,10,18H,2-3H2,1H3,(H,13,14,19)/t7-,8+,10?/m0/s1
InChI Key:
OUWJRGHVEKGNJL-VLCSVPMDSA-N
SMILES:
CC(=O)OC[C@@H]1CC[C@@H](O1)n1cnc2c1ncnc2O
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
278.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.268g/mol
Monoisotopic Mass:
278.102g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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