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114485-36-8 | Inosine, 2'-deoxy-6-O-phenyl- (9CI)
CAS No: 114485-36-8 Catalog No: AG000EIR MDL No:
Product Description
Catalog Number:
AG000EIR
Chemical Name:
Inosine, 2'-deoxy-6-O-phenyl- (9CI)
CAS Number:
114485-36-8
Molecular Formula:
C16H16N4O4
Molecular Weight:
328.3226
IUPAC Name:
(2R,3S,5R)-2-(hydroxymethyl)-5-(6-phenoxypurin-9-yl)oxolan-3-ol
InChI:
InChI=1S/C16H16N4O4/c21-7-12-11(22)6-13(24-12)20-9-19-14-15(20)17-8-18-16(14)23-10-4-2-1-3-5-10/h1-5,8-9,11-13,21-22H,6-7H2/t11-,12+,13+/m0/s1
InChI Key:
VEPXNPNNUCUROO-YNEHKIRRSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2Oc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
328.117g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.328g/mol
Monoisotopic Mass:
328.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Convenient synthesis of oligodeoxynucleotides containing 2'-deoxy-6-thioinosine. | Nucleosides, nucleotides & nucleic acids 20030101 |
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