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Home > Other Building Blocks > 14133-09-6
14133-09-6 | 9H-Purine-9-methanol, 6-(pentylthio)-
CAS No: 14133-09-6 Catalog No: AG001G7U MDL No:
Product Description
Catalog Number:
AG001G7U
Chemical Name:
9H-Purine-9-methanol, 6-(pentylthio)-
CAS Number:
14133-09-6
Molecular Formula:
C11H16N4OS
Molecular Weight:
252.3359
IUPAC Name:
(6-pentylsulfanylpurin-9-yl)methanol
InChI:
InChI=1S/C11H16N4OS/c1-2-3-4-5-17-11-9-10(12-6-13-11)15(8-16)7-14-9/h6-7,16H,2-5,8H2,1H3
InChI Key:
UWXXBRKWZHZMBQ-UHFFFAOYSA-N
SMILES:
CCCCCSc1ncnc2c1ncn2CO
NSC Number:
99940
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.104g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
252.336g/mol
Monoisotopic Mass:
252.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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