(2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxopentanoyl]Amino]-2-Amino-7-[[(2R)-1-[[(2R)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-7-Oxoheptanoic Acid
[CAS# 73715-37-4]

Identification

• Name: (2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-2-Hydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxopentanoyl]Amino]-2-Amino-7-[[(2R)-1-[[(2R)-1-Hydroxy-1-Oxopropan-2-Yl]Amino]-1-Oxopropan-2-Yl]Amino]-7-Oxoheptanoic Acid
• Synonyms: (2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-2-Hydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Oxo-Pentanoyl]Amino]-2-Amino-7-[[(1R)-2-[[(1R)-2-Hydroxy-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethyl]Amino]-7-Oxo-Heptanoic Acid; (2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[[(2S,3R,4R,5S,6R)-3-Acetamido-5-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Hydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Amino-1,5-Dioxopentyl]Amino]-2-Amino-7-[[(1R)-2-[[(1R)-2-Hydroxy-1-Methyl-2-Oxoethyl]Amino]-1-Methyl-2-Oxoethyl]Amino]-7-Oxoheptanoic Acid; (2S,6S)-6-[[(2R)-2-[[(2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-2-Hydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxypropanoyl]Amino]Propanoyl]Amino]-5-Amino-5-Keto-Pentanoyl]Amino]-2-Amino-7-[[(1R)-2-[[(1R)-2-Hydroxy-2-Keto-1-Methyl-Ethyl]Amino]-2-Keto-1-Methyl-Ethyl]Amino]-7-Keto-Enanthic Acid
• Molecular Formula: C₄₀H₆₇N₉O₂₁
• Molecular Weight: 1010.02
• CAS Registry Number: 73715-37-4
• SMILES: [C@@H](C(=O)O)(NC([C@H](NC([C@@H](NC([C@H](NC([C@@H](NC([C@@H](C)O[C@H]2[C@H](O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)C)[C@@H](CO)O[C@H](O)[C@@H]2NC(=O)C)=O)C)=O)CCC(=O)N)=O)CCC[C@H](N)C(=O)O)=O)C)=O)C
• InChI: 1S/C40H67N9O21/c1-14(32(57)45-16(3)37(62)63)44-35(60)21(9-7-8-20(41)38(64)65)49-36(61)22(10-11-25(42)54)48-33(58)15(2)43-34(59)17(4)67-31-27(47-19(6)53)39(66)68-24(13-51)30(31)70-40-26(46-18(5)52)29(56)28(55)23(12-50)69-40/h14-17,20-24,26-31,39-40,50-51,55-56,66H,7-13,41H2,1-6H3,(H2,42,54)(H,43,59)(H,44,60)(H,45,57)(H,46,52)(H,47,53)(H,48,58)(H,49,61)(H,62,63)(H,64,65)/t14-,15+,16-,17-,20+,21+,22-,23-,24-,26-,27-,28-,29-,30-,31-,39+,40+/m1/s1
• InChIKey: IFUAEVRHOAQERC-BQZBOJCTSA-N

Properties

• Density: 1.482g/cm³ (Cal.)
• Boiling point: 1532.548°C at 760 mmHg (Cal.)
• Flash point: 880.653°C (Cal.)