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18945-38-5 | Inosine, 5'-azido-5'-deoxy- (8CI,9CI)
CAS No: 18945-38-5 Catalog No: AG002DP2 MDL No:
Product Description
Catalog Number:
AG002DP2
Chemical Name:
Inosine, 5'-azido-5'-deoxy- (8CI,9CI)
CAS Number:
18945-38-5
Molecular Formula:
C10H11N7O4
Molecular Weight:
293.2388
IUPAC Name:
9-[(2R,3R,4S,5R)-5-(azidomethyl)-3,4-dihydroxyoxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C10H11N7O4/c11-16-15-1-4-6(18)7(19)10(21-4)17-3-14-5-8(17)12-2-13-9(5)20/h2-4,6-7,10,18-19H,1H2,(H,12,13,20)/t4-,6-,7-,10-/m1/s1
InChI Key:
SJYUUZMKHSVBSZ-KQYNXXCUSA-N
SMILES:
[N-]=[N+]=NC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2O
Properties
Complexity:
508
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
293.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
293.243g/mol
Monoisotopic Mass:
293.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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