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23526-12-7 | 9H-Purine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(methylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI)
CAS No: 23526-12-7 Catalog No: AG002NKP MDL No:
Product Description
Catalog Number:
AG002NKP
Chemical Name:
9H-Purine, 9-(2-deoxy-β-D-erythro-pentofuranosyl)-6-(methylthio)-, cyclic 3',5'-(hydrogen phosphate) (8CI)
CAS Number:
23526-12-7
IUPAC Name:
2-hydroxy-6-(6-methylsulfanylpurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinine 2-oxide
InChI:
InChI=1S/C11H13N4O5PS/c1-22-11-9-10(12-4-13-11)15(5-14-9)8-2-6-7(19-8)3-18-21(16,17)20-6/h4-8H,2-3H2,1H3,(H,16,17)
InChI Key:
OGBZRTCEATWSNP-UHFFFAOYSA-N
NSC Number:
101628
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.034g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.282g/mol
Monoisotopic Mass:
344.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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