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14133-12-1 | 9H-Purine-9-methanol, 6-(octylthio)-
CAS No: 14133-12-1 Catalog No: AG001G8O MDL No:
Product Description
Catalog Number:
AG001G8O
Chemical Name:
9H-Purine-9-methanol, 6-(octylthio)-
CAS Number:
14133-12-1
Molecular Formula:
C14H22N4OS
Molecular Weight:
294.4157
IUPAC Name:
(6-octylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C14H22N4OS/c1-2-3-4-5-6-7-8-20-14-12-13(15-9-16-14)18(11-19)10-17-12/h9-10,19H,2-8,11H2,1H3
InChI Key:
MWYHIWJIMBWASP-UHFFFAOYSA-N
SMILES:
CCCCCCCCSc1ncnc2c1ncn2CO
NSC Number:
99930
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.151g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.417g/mol
Monoisotopic Mass:
294.151g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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