Home Nitros D-Galactitol, 1-deoxy-1-nitro-

D-Galactitol, 1-deoxy-1-nitro-

CAS No.:
20971-06-6
Catalog Number:
AG002KDS
Molecular Formula:
C6H13NO7
Molecular Weight:
211.1699
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Product Description
Catalog Number:
AG002KDS
Chemical Name:
D-Galactitol, 1-deoxy-1-nitro-
CAS Number:
20971-06-6
Molecular Formula:
C6H13NO7
Molecular Weight:
211.1699
IUPAC Name:
(2R,3S,4R,5S)-6-nitrohexane-1,2,3,4,5-pentol
InChI:
InChI=1S/C6H13NO7/c8-2-4(10)6(12)5(11)3(9)1-7(13)14/h3-6,8-12H,1-2H2/t3-,4+,5+,6-/m0/s1
InChI Key:
HOFCJTOUEGMYBT-KCDKBNATSA-N
SMILES:
OC[C@H]([C@@H]([C@@H]([C@H](C[N+](=O)[O-])O)O)O)O
EC Number:
244-132-9
Properties
Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
4  
Defined Bond Stereocenter Count:
0
Exact Mass:
211.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
211.17g/mol
Monoisotopic Mass:
211.069g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-3.1  
Properties