1-S-[(1E,3S)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-beta-D-glucopyranose
[CAS# 19237-18-4]

Identification

• Name: 1-S-[(1E,3S)-3-Hydroxy-N-(sulfooxy)-4-pentenimidoyl]-1-thio-beta-D-glucopyranose
• Synonyms: (2S)-2-Hydroxybut-3-enylglucosinolate; (S)--2-Hydroxy-3-butenyl-glucosinolate; 1-Thio-β-D-glucopyranose 1-((3S)-3-hydroxy-N-(sulfooxy)-4-pentenimidate)
• Molecular Formula: C₁₁H₁₉NO₁₀S₂
• Molecular Weight: 389.40
• CAS Registry Number: 19237-18-4
• SMILES: O=S(=O)(O)O\N=C(\S[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C[C@H](O)\C=C
• InChI: 1S/C11H19NO10S2/c1-2-5(14)3-7(12-22-24(18,19)20)23-11-10(17)9(16)8(15)6(4-13)21-11/h2,5-6,8-11,13-17H,1,3-4H2,(H,18,19,20)/b12-7+/t5-,6-,8-,9+,10-,11+/m1/s1
• InChIKey: MYHSVHWQEVDFQT-QSKOKFRPSA-N

Properties

• Density: 1.798g/cm³ (Cal.)
• Refractive index: 1.65 (Cal.)