2-[(2S,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-[(1R,2R)-2-Methoxy-1-[[(2S)-1-Methylpyrrolidine-2-Carbonyl]Amino]Propyl]Oxan-2-Yl]Sulfanylethyl 2-Hydroxybenzoate
[CAS# 2520-21-0]

Identification

• Name: 2-[(2S,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-[(1R,2R)-2-Methoxy-1-[[(2S)-1-Methylpyrrolidine-2-Carbonyl]Amino]Propyl]Oxan-2-Yl]Sulfanylethyl 2-Hydroxybenzoate
• Synonyms: 2-[(2S,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-[(1R,2R)-2-Methoxy-1-[[(2S)-1-Methylpyrrolidine-2-Carbonyl]Amino]Propyl]Tetrahydropyran-2-Yl]Sulfanylethyl 2-Hydroxybenzoate; 2-Hydroxybenzoic Acid 2-[[(2S,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-[(1R,2R)-2-Methoxy-1-[[[(2S)-1-Methyl-2-Pyrrolidinyl]-Oxomethyl]Amino]Propyl]-2-Tetrahydropyranyl]Thio]Ethyl Ester; 2-Hydroxybenzoic Acid 2-[[(2S,3S,4R,5R,6S)-3,4,5-Trihydroxy-6-[(1R,2R)-1-(Hygroylamino)-2-Methoxy-Propyl]Tetrahydropyran-2-Yl]Thio]Ethyl Ester
• Molecular Formula: C₂₄H₃₆N₂O₉S
• Molecular Weight: 528.62
• CAS Registry Number: 2520-21-0
• SMILES: [C@H]1(O[C@H]([C@H]([C@@H]([C@H]1O)O)O)SCCOC(C2=C(O)C=CC=C2)=O)[C@H](NC([C@H]3N(CCC3)C)=O)[C@H](OC)C
• InChI: 1S/C24H36N2O9S/c1-13(33-3)17(25-22(31)15-8-6-10-26(15)2)21-19(29)18(28)20(30)24(35-21)36-12-11-34-23(32)14-7-4-5-9-16(14)27/h4-5,7,9,13,15,17-21,24,27-30H,6,8,10-12H2,1-3H3,(H,25,31)/t13-,15+,17-,18-,19-,20+,21+,24+/m1/s1
• InChIKey: VMSQKUCYEMOKMM-HUQJOJSCSA-N

Properties

• Density: 1.393g/cm³ (Cal.)
• Boiling point: 748.691°C at 760 mmHg (Cal.)
• Flash point: 406.594°C (Cal.)