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CAS 5821-53-4

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Sulfuric acid, monododecyl ester, compd. with (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)

Description:
The chemical substance known as "Sulfuric acid, monododecyl ester, compd. with (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)" with CAS number 5821-53-4 is a complex organic compound that features a dodecyl ester of sulfuric acid, indicating it possesses surfactant properties. The presence of a long hydrophobic dodecyl chain suggests that it can interact with lipid membranes, making it useful in various applications, including as an emulsifier or dispersant. The compound also contains a naphthacenecarboxamide moiety, which may contribute to its biological activity and potential pharmacological properties. The specific stereochemistry indicated by the (4S,4aS,5aS,6S,12aS) configuration suggests that the compound may exhibit chirality, which can influence its reactivity and interactions in biological systems. Overall, this substance is likely to be of interest in fields such as medicinal chemistry, materials science, and biochemistry due to its unique structural features and potential applications.
Formula:C22H24N2O8·C12H26O4S
InChI:InChI=1S/C22H24N2O8.C12H26O4S/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30);2-12H2,1H3,(H,13,14,15)/t9-,10-,15-,21+,22-;/m0./s1
InChI key:InChIKey=HKZSFGSVXUFBGF-FMZCEJRJSA-N
SMILES:C(CCCCCCCCCC)COS(=O)(=O)O.O[C@@]12[C@@](C[C@]3(C(=C1O)C(=O)C=4C([C@@]3(C)O)=CC=CC4O)[H])([C@H](N(C)C)C(O)=C(C(N)=O)C2=O)[H]
Synonyms:
  • Dodecyl sulfate, compd. with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • Sulfuric acid, monododecyl ester, compd. with [4S-(4α,4aα,5aα,6β,12aα)]-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • Sulfuric acid, monododecyl ester, compd. with (4S,4aS,5aS,6S,12aS)-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • Sulfuric acid, monododecyl ester, compd. with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide (1:1)
  • 2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-, mono(dodecyl sulfate) (salt)
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