Progoitrin

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

Also Known As: Progoitrin|Glucorapiferin|Epiprogoitrin|epi-Progoitrin|(R)-PROGOITRIN|2(R)-Hydroxy-3-butenyl glucosinolate|(R)-2-Hydroxy-3-butenyl glucosinolate|2(R)-2-Hydroxy-3-butenyl glucosinolate|2-hydroxy-3-butenyl glucosinolate;PRO|Progoitrin ((2R)-Hydroxybut-3-enyl-GS)|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate|1-S-[(3R)-3-hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thio-beta-D-glucopyranose|1-S-[3-Hydroxy-N-(sulfooxy)pent-4-enimidoyl]-1-thiohexopyranose|((((R)-3-hydroxy-1-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)pent-4-en-1-ylidene)amino)oxy)sulfonic acid|.BETA.-D-GLUCOPYRANOSE, 1-THIO-, 1-((3R)-3-HYDROXY-N-(SULFOOXY)-4-PENTENIMIDATE)|beta-D-Glucopyranose, 1-thio-, 1-((3R)-3-hydroxy-N-(sulfooxy)-4-pentenimidate|beta-D-Glucopyranose, 1-thio-, 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate), (R)-|((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl) (3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate|[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] (3R)-3-hydroxy-N-sulfooxy-pent-4-enimidothioate|[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl](1E,3R)-3-hydroxy-N-sulfooxypent-4-enimidothioate|Glucopyranose, 1-thio-, 1-((R)-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	21087-77-4
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