Epiprogoitrin

[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate

Also Known As: epi-Progoitrin|Epiprogoitrin|GLUCORAPIFERIN, (S)-|(2S)-2-hydroxy-3-butenyl glucosinolate|(S)-2-hydroxy-but-3-enyl-glucosinolate|2(S)-Hydroxy-3-butenylglucosinolate|AI3-52767|.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-((3S)-3-HYDROXY-N-(SULFOOXY)-4-PENTENIMIDATE)|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-y|1-S-[(3S)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3S)-3-hydroxy-N-sulfooxypent-4-enimidothioate|1-S-((3S)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl)-1-thio-beta-D-glucopyranose|1-Thio-beta-D-glucopyranose 1-((3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)|beta-D-Glucopyranose, 1-thio-, 1-((3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)|beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate), (S)-|beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate), (S)-(9CI)|Glucopyranose, 1-thio-, 1-((S)-3-hydroxy-4-pentenohydroximate) NO-(hydrogen sulfate), beta-D-

Molecular Formula	C11H19NO10S2
Molecular Weight	389.04504 g/mol
LogP	-2.4106
Topological Polar Surface Area	186.34 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	389.04504
Monoisotopic Mass	389.04504
Heavy Atoms	24
Complexity	551.0076

Chemical Identifiers

CAS Number	19237-18-4
SMILES	C=C[C@H](CC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O