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Home > Nitro Compounds > 96613-89-7
96613-89-7 | 1-Deoxy-1-nitro-D-iditol hemihydrate, 99%
CAS No: 96613-89-7 Catalog No: AG003E9P MDL No:
Product Description
Catalog Number:
AG003E9P
Chemical Name:
1-Deoxy-1-nitro-D-iditol hemihydrate, 99%
CAS Number:
96613-89-7
IUPAC Name:
(2R,3S,4S,5R)-6-nitrohexane-1,2,3,4,5-pentol;hydrate
InChI:
InChI=1S/C6H13NO7.H2O/c8-2-4(10)6(12)5(11)3(9)1-7(13)14;/h3-6,8-12H,1-2H2;1H2/t3-,4-,5+,6+;/m1./s1
InChI Key:
OHFQXMNDKUHFDU-QAYODLCCSA-N
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
4
Defined Bond Stereocenter Count:
0
Exact Mass:
229.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
229.185g/mol
Monoisotopic Mass:
229.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
148A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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