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156733-28-7 | Adenosine, N-(phenylmethyl)-, 1-oxide
CAS No: 156733-28-7 Catalog No: AG001OXP MDL No:
Product Description
Catalog Number:
AG001OXP
Chemical Name:
Adenosine, N-(phenylmethyl)-, 1-oxide
CAS Number:
156733-28-7
Molecular Formula:
C17H19N5O5
Molecular Weight:
373.3633
IUPAC Name:
(2R,3R,4S,5R)-2-(6-benzylimino-1-hydroxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C17H19N5O5/c23-7-11-13(24)14(25)17(27-11)21-8-19-12-15(21)20-9-22(26)16(12)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17,23-26H,6-7H2/t11-,13-,14-,17-/m1/s1
InChI Key:
ZECYMCGQIHNJSE-LSCFUAHRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc[n+](c2NCc1ccccc1)[O-]
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
373.139g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
373.369g/mol
Monoisotopic Mass:
373.139g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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