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88868-67-1 | Inosine, 2-(phenylmethyl)-
CAS No: 88868-67-1 Catalog No: AG004AO7 MDL No:
Product Description
Catalog Number:
AG004AO7
Chemical Name:
Inosine, 2-(phenylmethyl)-
CAS Number:
88868-67-1
Molecular Formula:
C17H18N4O5
Molecular Weight:
358.3486
IUPAC Name:
2-benzyl-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
InChI:
InChI=1S/C17H18N4O5/c22-7-10-13(23)14(24)17(26-10)21-8-18-12-15(21)19-11(20-16(12)25)6-9-4-2-1-3-5-9/h1-5,8,10,13-14,17,22-24H,6-7H2,(H,19,20,25)/t10-,13-,14-,17-/m1/s1
InChI Key:
RKVUCVOUTVTNGY-IWCJZZDYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(Cc1ccccc1)nc2O
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
358.128g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.354g/mol
Monoisotopic Mass:
358.128g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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