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Home > Nitro Compounds > 73552-71-3
73552-71-3 | Adenosine, 3'-O-[(2-nitrophenyl)methyl]-
CAS No: 73552-71-3 Catalog No: AG005D3D MDL No:
Product Description
Catalog Number:
AG005D3D
Chemical Name:
Adenosine, 3'-O-[(2-nitrophenyl)methyl]-
CAS Number:
73552-71-3
Molecular Formula:
C17H18N6O6
Molecular Weight:
402.3614
IUPAC Name:
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-[(2-nitrophenyl)methoxy]oxolan-3-ol
InChI:
InChI=1S/C17H18N6O6/c18-15-12-16(20-7-19-15)22(8-21-12)17-13(25)14(11(5-24)29-17)28-6-9-3-1-2-4-10(9)23(26)27/h1-4,7-8,11,13-14,17,24-25H,5-6H2,(H2,18,19,20)/t11-,13-,14-,17-/m1/s1
InChI Key:
XOHUCKFWYASAPX-LSCFUAHRSA-N
SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1OCc1ccccc1[N+](=O)[O-])O)n1cnc2c1ncnc2N
Properties
Complexity:
581
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
402.129g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
402.367g/mol
Monoisotopic Mass:
402.129g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
174A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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