Synonyms
6988-69-8;DTXSID10746407;1,3,5-Triamino-1,3,5-trideoxy-cis-inositol trihydrochloride;2,4,6-Triaminocyclohexane-1,3,5-triol--hydrogen chloride (1/3);all-cis-2,4,6-Triamino-1,3,5-trihydroxycyclohexane trihydrochloride;all-cis-2,4,6-Triaminocyclohexane-1,3,5-triol trihydrochloride;1,3,5-Triamino-1,3,5-trideoxy-cis-inositol trihydrochloride, >=95% (qNMR);
IUPAC Name
2,4,6-triaminocyclohexane-1,3,5-triol;trihydrochloride;
Molecular Weight
286.58
Molecular Formula
C6H18Cl3N3O3;
Canonical SMILES
C1(C(C(C(C(C1O)N)O)N)O)N.Cl.Cl.Cl;
InChI
InChI=1S/C6H15N3O3.3ClH/c7-1-4(10)2(8)6(12)3(9)5(1)11;;;/h1-6,10-12H,7-9H2;3*1H;
InChI Key
JJLVRAIJSKJOGF-UHFFFAOYSA-N;
Complexity
122
Covalently-Bonded Unit Count
4
Exact Mass
285.041g/mol
H-Bond Acceptor
6
H-Bond Donor
9
Heavy Atom Count
15
Monoisotopic Mass
285.041g/mol
Topological Polar Surface Area
139A^2
