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Home > Nitro Compounds > 94481-72-8
94481-72-8 | 1-Deoxy-1-nitro-L-galactitol
CAS No: 94481-72-8 Catalog No: AG00H6JJ MDL No:
Product Description
Catalog Number:
AG00H6JJ
Chemical Name:
1-Deoxy-1-nitro-L-galactitol
CAS Number:
94481-72-8
Molecular Formula:
C6H13NO7
Molecular Weight:
211.1699
IUPAC Name:
(2S,3R,4S,5R)-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-/m1/s1
InChI Key:
HOFCJTOUEGMYBT-DPYQTVNSSA-N
SMILES:
OCC(C(C(C(C[N+](=O)[O-])O)O)O)O
EC Number:
305-399-8
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
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