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131865-78-6 | Adenosine, 2-(phenylmethoxy)-
CAS No: 131865-78-6 Catalog No: AG000ZUU MDL No:
Product Description
Catalog Number:
AG000ZUU
Chemical Name:
Adenosine, 2-(phenylmethoxy)-
CAS Number:
131865-78-6
Molecular Formula:
C17H19N5O5
Molecular Weight:
373.3633
IUPAC Name:
(2R,3R,4S,5R)-2-(6-amino-2-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C17H19N5O5/c18-14-11-15(21-17(20-14)26-7-9-4-2-1-3-5-9)22(8-19-11)16-13(25)12(24)10(6-23)27-16/h1-5,8,10,12-13,16,23-25H,6-7H2,(H2,18,20,21)/t10-,12-,13-,16-/m1/s1
InChI Key:
FUODJAMHKWCPRT-XNIJJKJLSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(OCc1ccccc1)nc2N
Properties
Complexity:
496
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:
9
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
373.369g/mol
Monoisotopic Mass:
373.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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