(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-6-[C-[(2S)-2-Hydroxypent-4-Enyl]-N-Sulfonatooxy-Carbonimidoyl]Sulfanyl-Oxane
[CAS# 19764-03-5]

Identification

• Name: (2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-2-(Hydroxymethyl)-6-[C-[(2S)-2-Hydroxypent-4-Enyl]-N-Sulfonatooxy-Carbonimidoyl]Sulfanyl-Oxane
• Synonyms: [[(3S)-3-Hydroxy-1-[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Sulfanyl-Hex-5-Enylidene]Amino] Sulfate; [[(3S)-3-Hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Thio]Hex-5-Enylidene]Amino] Sulfate; [[(3S)-3-Hydroxy-1-[[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Thio]Hex-5-Enylidene]Amino] Sulfate
• Molecular Formula: C₁₂H₂₀NO₁₀S₂
• Molecular Weight: 402.41
• CAS Registry Number: 19764-03-5
• SMILES: [C@@H]1(SC(=N/O[S]([O-])(=O)=O)/C[C@@H](O)CC=C)O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO
• InChI: 1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/p-1/b13-8+/t6-,7+,9+,10-,11+,12-/m0/s1
• InChIKey: ZEGLQSKFSKZGRO-GLVOHVGASA-M

Properties

• Density: 1.73g/cm³ (Cal.)