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304442-35-1 | Adenosine, 2'-O-(2-methoxy-2-oxoethyl)-
CAS No: 304442-35-1 Catalog No: AG00305M MDL No:
Product Description
Catalog Number:
AG00305M
Chemical Name:
Adenosine, 2'-O-(2-methoxy-2-oxoethyl)-
CAS Number:
304442-35-1
Molecular Formula:
C13H17N5O6
Molecular Weight:
339.3040
IUPAC Name:
methyl 2-[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxyacetate
InChI:
InChI=1S/C13H17N5O6/c1-22-7(20)3-23-10-9(21)6(2-19)24-13(10)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9-10,13,19,21H,2-3H2,1H3,(H2,14,15,16)/t6-,9-,10-,13-/m1/s1
InChI Key:
NAUHCPUQDZKVEI-ZRFIDHNTSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OCC(=O)OC)n1cnc2c1ncnc2N
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
339.118g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.308g/mol
Monoisotopic Mass:
339.118g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6
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