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20776-39-0 | 9H-Purine-9-ethanol, 6-amino-β-hexyl-
CAS No: 20776-39-0 Catalog No: AG002J9O MDL No:
Product Description
Catalog Number:
AG002J9O
Chemical Name:
9H-Purine-9-ethanol, 6-amino-β-hexyl-
CAS Number:
20776-39-0
Molecular Formula:
C13H21N5O
Molecular Weight:
263.3387
IUPAC Name:
2-(6-aminopurin-9-yl)octan-1-ol
InChI:
InChI=1S/C13H21N5O/c1-2-3-4-5-6-10(7-19)18-9-17-11-12(14)15-8-16-13(11)18/h8-10,19H,2-7H2,1H3,(H2,14,15,16)
InChI Key:
YXBJLOKJVFLXCO-UHFFFAOYSA-N
SMILES:
CCCCCCC(n1cnc2c1ncnc2N)CO
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.175g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.345g/mol
Monoisotopic Mass:
263.175g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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