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137985-23-0 | Inosine, 2-bromo-2'-deoxy-6-O-methyl- (9CI)
CAS No: 137985-23-0 Catalog No: AG0017RW MDL No:
Product Description
Catalog Number:
AG0017RW
Chemical Name:
Inosine, 2-bromo-2'-deoxy-6-O-methyl- (9CI)
CAS Number:
137985-23-0
Molecular Formula:
C11H13BrN4O4
Molecular Weight:
345.1493
IUPAC Name:
(2R,3S,5R)-5-(2-bromo-6-methoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
InChI:
InChI=1S/C11H13BrN4O4/c1-19-10-8-9(14-11(12)15-10)16(4-13-8)7-2-5(18)6(3-17)20-7/h4-7,17-18H,2-3H2,1H3/t5-,6+,7+/m0/s1
InChI Key:
ZDHHMOPXAFCLQN-RRKCRQDMSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1nc(Br)nc2OC
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
344.012g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
345.153g/mol
Monoisotopic Mass:
344.012g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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