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Home > Nitro Compounds > 89845-38-5
89845-38-5 | Adenosine, 2'-deoxy-N-[(2-nitrophenyl)thio]-
CAS No: 89845-38-5 Catalog No: AG003WVA MDL No:
Product Description
Catalog Number:
AG003WVA
Chemical Name:
Adenosine, 2'-deoxy-N-[(2-nitrophenyl)thio]-
CAS Number:
89845-38-5
Molecular Formula:
C16H16N6O5S
Molecular Weight:
404.4004
IUPAC Name:
2-(hydroxymethyl)-5-[6-[(2-nitrophenyl)sulfanylamino]purin-9-yl]oxolan-3-ol
InChI:
InChI=1S/C16H16N6O5S/c23-6-11-10(24)5-13(27-11)21-8-19-14-15(17-7-18-16(14)21)20-28-12-4-2-1-3-9(12)22(25)26/h1-4,7-8,10-11,13,23-24H,5-6H2,(H,17,18,20)
InChI Key:
JLPMFUYRNUUIAP-UHFFFAOYSA-N
SMILES:
OC[C@H]1O[C@H](C[C@@H]1O)n1cnc2c1ncnc2NSc1ccccc1[N+](=O)[O-]
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.09g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
404.401g/mol
Monoisotopic Mass:
404.09g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
176A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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