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81129-36-4 | 9-(2-HYDROXY-3-NONYL)PURINE
CAS No: 81129-36-4 Catalog No: AG005GDN MDL No:
Product Description
Catalog Number:
AG005GDN
Chemical Name:
9-(2-HYDROXY-3-NONYL)PURINE
CAS Number:
81129-36-4
Molecular Formula:
C14H22N4O
Molecular Weight:
262.3507
IUPAC Name:
3-purin-9-ylnonan-2-ol
InChI:
InChI=1S/C14H22N4O/c1-3-4-5-6-7-13(11(2)19)18-10-17-12-8-15-9-16-14(12)18/h8-11,13,19H,3-7H2,1-2H3
InChI Key:
ZTSORWGHRMIOHU-UHFFFAOYSA-N
SMILES:
CCCCCCC(n1cnc2c1ncnc2)C(O)C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
262.357g/mol
Monoisotopic Mass:
262.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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