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141018-25-9 | Adenosine, 2-iodo-2',3'-O-(1-methylethylidene)-
CAS No: 141018-25-9 Catalog No: AG001FR1 MDL No:
Product Description
Catalog Number:
AG001FR1
Chemical Name:
Adenosine, 2-iodo-2',3'-O-(1-methylethylidene)-
CAS Number:
141018-25-9
Molecular Formula:
C13H16IN5O4
Molecular Weight:
433.2017
IUPAC Name:
[(3aR,4R,6R,6aR)-4-(6-amino-2-iodopurin-9-yl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl]methanol
InChI:
InChI=1S/C13H16IN5O4/c1-13(2)22-7-5(3-20)21-11(8(7)23-13)19-4-16-6-9(15)17-12(14)18-10(6)19/h4-5,7-8,11,20H,3H2,1-2H3,(H2,15,17,18)/t5-,7-,8-,11-/m1/s1
InChI Key:
KNWSBURSUIDKHK-IOSLPCCCSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]2C1OC(O2)(C)C)n1cnc2c1nc(I)nc2N
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
433.025g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
433.206g/mol
Monoisotopic Mass:
433.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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