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174844-42-9

174844-42-9 | β-D-Glucopyranose, 2-deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-

CAS No: 174844-42-9 Catalog No: AG002009 MDL No:

Product Description

Catalog Number:
AG002009
Chemical Name:
β-D-Glucopyranose, 2-deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-
CAS Number:
174844-42-9
Molecular Formula:
C12H14N4O8
Molecular Weight:
342.2616
IUPAC Name:
(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanal
InChI:
InChI=1S/C12H14N4O8/c17-3-6(11(20)12(21)8(19)4-18)13-5-1-2-7(16(22)23)10-9(5)14-24-15-10/h1-3,6,8,11-13,18-21H,4H2/t6-,8+,11+,12+/m0/s1
InChI Key:
QUTFFEUUGHUPQC-ILWYWAAHSA-N
SMILES:
OC[C@H]1O[C@@H](O)[C@@H]([C@H]([C@@H]1O)O)Nc1ccc(c2c1non2)[N+](=O)[O-]
UNII:
JE4F4P486R

Properties

Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
342.081g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
342.264g/mol
Monoisotopic Mass:
342.081g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
195A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  

Literature

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