1-C-{(2R)-3-Hydroxy-1-Oxo-1-[(Sulfooxy)Amino]-4-Penten-2-Yl}-1-Thio-beta-D-Glucopyranose
[CAS# 31362-92-2]

Identification

• Name: 1-C-{(2R)-3-Hydroxy-1-Oxo-1-[(Sulfooxy)Amino]-4-Penten-2-Yl}-1-Thio-beta-D-Glucopyranose
• Synonyms: 1-Thio-β-D-glucopyranose 1-(3-hydroxy-N-(sulfooxy)-4-pentenimidate); 2-Hydroxybut-3-enylglucosinolate; 4-Pentenohydroximate NO-(hydrogen sulfate)
• Molecular Formula: C₁₁H₁₉NO₁₁S₂
• Molecular Weight: 405.40
• CAS Registry Number: 31362-92-2
• SMILES: O=S(=O)(O)ONC(=O)C([C@@]1(S)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)\C=C
• InChI: 1S/C11H19NO11S2/c1-2-4(14)6(10(18)12-23-25(19,20)21)11(24)9(17)8(16)7(15)5(3-13)22-11/h2,4-9,13-17,24H,1,3H2,(H,12,18)(H,19,20,21)/t4?,5-,6?,7-,8+,9-,11+/m1/s1
• InChIKey: SUOGAQCWLKMPJW-ULODSMNMSA-N

Properties

• Density: 1.79g/cm³ (Cal.)