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131865-89-9 | Adenosine, 2-[2-(2-methoxyphenyl)ethoxy]-
CAS No: 131865-89-9 Catalog No: AG000ZUQ MDL No:
Product Description
Catalog Number:
AG000ZUQ
Chemical Name:
Adenosine, 2-[2-(2-methoxyphenyl)ethoxy]-
CAS Number:
131865-89-9
Molecular Formula:
C19H23N5O6
Molecular Weight:
417.4158
IUPAC Name:
2-[6-amino-2-[2-(2-methoxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
InChI:
InChI=1S/C19H23N5O6/c1-28-11-5-3-2-4-10(11)6-7-29-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(8-25)30-18/h2-5,9,12,14-15,18,25-27H,6-8H2,1H3,(H2,20,22,23)
InChI Key:
RYEOFHXGYIYOHY-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(OCCc1ccccc1OC)nc2N
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.165g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
417.422g/mol
Monoisotopic Mass:
417.165g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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