1,3,5-Triamino-1,3,5-trideoxy-cis-inositol trihydrochloride

Catalog Number

ACM6988698

Product Name

1,3,5-Triamino-1,3,5-trideoxy-cis-inositol trihydrochloride

CAS

6988-69-8

Category

Heterocyclic Organic Compound

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

MSDS

COA

Spec Sheet