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34308-25-3 | 1-METHYLADENOSINE HYDROIODIDE
CAS No: 34308-25-3 Catalog No: AG00C0LX MDL No:MFCD00058140
Product Description
Catalog Number:
AG00C0LX
Chemical Name:
1-METHYLADENOSINE HYDROIODIDE
CAS Number:
34308-25-3
Molecular Formula:
C11H16IN5O4
Molecular Weight:
409.1803
MDL Number:
MFCD00058140
IUPAC Name:
2-(hydroxymethyl)-5-(6-imino-1-methylpurin-9-yl)oxolane-3,4-diol;hydroiodide
InChI:
InChI=1S/C11H15N5O4.HI/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11;/h3-5,7-8,11-12,17-19H,2H2,1H3;1H
InChI Key:
HRVIETAHBNHGAH-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncn(c2=N)C.I
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.025g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
409.184g/mol
Monoisotopic Mass:
409.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
4
Undefined Bond Stereocenter Count:
0
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