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834911-88-5 | 2-Furanmethanol, 2,5-dihydro-5-[6-(methylthio)-9H-purin-9-yl]-, (2S,5R)-
CAS No: 834911-88-5 Catalog No: AG004VG7 MDL No:
Product Description
Catalog Number:
AG004VG7
Chemical Name:
2-Furanmethanol, 2,5-dihydro-5-[6-(methylthio)-9H-purin-9-yl]-, (2S,5R)-
CAS Number:
834911-88-5
Molecular Formula:
C11H12N4O2S
Molecular Weight:
264.3036
IUPAC Name:
[(2S,5R)-5-(6-methylsulfanylpurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
InChI:
InChI=1S/C11H12N4O2S/c1-18-11-9-10(12-5-13-11)15(6-14-9)8-3-2-7(4-16)17-8/h2-3,5-8,16H,4H2,1H3/t7-,8+/m0/s1
InChI Key:
ZGRMKNDUNJZXCD-JGVFFNPUSA-N
SMILES:
OC[C@@H]1C=C[C@@H](O1)n1cnc2c1ncnc2SC
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
264.068g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.303g/mol
Monoisotopic Mass:
264.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
98.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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