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Home > Imidazoles > 165381-57-7
165381-57-7 | Adenosine, 2'-O-[4-(1H-imidazol-1-yl)butyl]- (9CI)
CAS No: 165381-57-7 Catalog No: AG001W49 MDL No:
Product Description
Catalog Number:
AG001W49
Chemical Name:
Adenosine, 2'-O-[4-(1H-imidazol-1-yl)butyl]- (9CI)
CAS Number:
165381-57-7
Molecular Formula:
C17H23N7O4
Molecular Weight:
389.4090
IUPAC Name:
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-(4-imidazol-1-ylbutoxy)oxolan-3-ol
InChI:
InChI=1S/C17H23N7O4/c18-15-12-16(21-8-20-15)24(10-22-12)17-14(13(26)11(7-25)28-17)27-6-2-1-4-23-5-3-19-9-23/h3,5,8-11,13-14,17,25-26H,1-2,4,6-7H2,(H2,18,20,21)/t11-,13-,14-,17-/m1/s1
InChI Key:
KNXLNEFVOSKHRD-LSCFUAHRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OCCCCn1cncc1)n1cnc2c1ncnc2N
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
389.181g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
389.416g/mol
Monoisotopic Mass:
389.181g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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