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Home > Indoles and Oxindole > 146905-68-2
146905-68-2 | Adenosine, 2-[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-hexynyl]-
CAS No: 146905-68-2 Catalog No: AG007HY3 MDL No:
Product Description
Catalog Number:
AG007HY3
Chemical Name:
Adenosine, 2-[6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-hexynyl]-
CAS Number:
146905-68-2
Molecular Formula:
C24H24N6O6
Molecular Weight:
492.4840
IUPAC Name:
2-[6-[6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]hex-5-ynyl]isoindole-1,3-dione
InChI:
InChI=1S/C24H24N6O6/c25-20-17-21(30(12-26-17)24-19(33)18(32)15(11-31)36-24)28-16(27-20)9-3-1-2-6-10-29-22(34)13-7-4-5-8-14(13)23(29)35/h4-5,7-8,12,15,18-19,24,31-33H,1-2,6,10-11H2,(H2,25,27,28)
InChI Key:
CPFIMFMZZFBYFI-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#CCCCCN1C(=O)c3c(C1=O)cccc3)nc2N
Properties
Complexity:
884
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
492.176g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
492.492g/mol
Monoisotopic Mass:
492.176g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
177A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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