3-methylbut-2-en-1-amine; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid

Systemtic Name: 3-methylbut-2-en-1-amine; (2R,3S,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexanoic acid Openeye Name: 3-methylbut-2-en-1-amine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid CAS Name: 3-methyl-2-buten-1-amine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid IUPAC Name: 3-methylbut-2-en-1-amine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid Traditional Name: 3-methylbut-2-enylamine; (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoic acid Formula: C11H23NO7 MolecularWeight: 281.30282

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN)C.C(C(C(C(C(C(=O)O)O)O)O)O)O

Isomeric SMILES

CC(=CCN)C.C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)O)O

InChI

InChI=1S/C6H12O7.C5H11N/c7-1-2(8)3(9)4(10)5(11)6(12)13;1-5(2)3-4-6/h2-5,7-11H,1H2,(H,12,13);3H,4,6H2,1-2H3/t2-,3-,4+,5-;/m1./s1