Neoagarohexaitol

cas: 68289-59-8 — see every product listed under this CAS number, including other names

Neoagarohexaitol (CAS 68289-59-8) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas68289-59-8
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Structural formula: {0} (CAS {1})

(2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol (CAS 68289-59-8) is a chemical compound with the molecular formula C36H58O28 and a molecular weight of 938.8 g/mol. IUPAC name: (2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol. InChIKey: MDDTZRQNBOQDHS-NRTBGCROSA-N.

Identity
Molecular formulaC36H58O28
Molecular weight938.8 g/mol
IUPAC name(2S,3R,4S,5R,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[[(1S,3S,4S,5S,8R)-3-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S)-2-[(1R)-1,2-dihydroxyethyl]-4-hydroxyoxolan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2,6-dioxabicyclo[3.2.1]octan-8-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKeyMDDTZRQNBOQDHS-NRTBGCROSA-N
SMILESC1[C@@H]([C@H]([C@@H](O1)[C@@H](CO)O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)O[C@H]3[C@H]([C@H]4[C@@H]([C@@H](O3)CO4)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O[C@H]6[C@H]([C@H]7[C@@H]([C@@H](O6)CO7)O[C@H]8[C@@H]([C@H]([C@H]([C@H](O8)CO)O)O)O)O)O)O)O)O

Computed by PubChem (NCBI)

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