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150259-11-3 | Adenosine, 3',5'-dideoxy-3',5'-dioxo- (9CI)
CAS No: 150259-11-3 Catalog No: AG001MFS MDL No:
Product Description
Catalog Number:
AG001MFS
Chemical Name:
Adenosine, 3',5'-dideoxy-3',5'-dioxo- (9CI)
CAS Number:
150259-11-3
Molecular Formula:
C10H9N5O4
Molecular Weight:
263.2096
IUPAC Name:
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-oxooxolane-2-carbaldehyde
InChI:
InChI=1S/C10H9N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h1-4,7,10,18H,(H2,11,12,13)/t4-,7-,10-/m1/s1
InChI Key:
JKIZYKDFWMLCTP-XMRAEQSQSA-N
SMILES:
O=C[C@H]1O[C@H]([C@@H](C1=O)O)n1cnc2c1ncnc2N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
263.065g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.213g/mol
Monoisotopic Mass:
263.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.6
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