(2R)-5-Amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(Hexadecanoylamino)-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Oxopentanoic Acid
[CAS# 78408-99-8]

Identification

• Name: (2R)-5-Amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(Hexadecanoylamino)-2,5-Dihydroxy-6-(Hydroxymethyl)Oxan-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2R)-5-Amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-(Hexadecanoylamino)-2,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Oxo-Pentanoic Acid; (2R)-5-Amino-2-[[(2S)-2-[[2-[[(2S,3R,4R,5S,6R)-2,5-Dihydroxy-6-(Hydroxymethyl)-3-(1-Oxohexadecylamino)-4-Tetrahydropyranyl]Oxy]-1-Oxopropyl]Amino]-1-Oxopropyl]Amino]-5-Oxopentanoic Acid; (2R)-5-Amino-2-[[(2S)-2-[2-[(2S,3R,4R,5S,6R)-2,5-Dihydroxy-6-Methylol-3-Palmitamido-Tetrahydropyran-4-Yl]Oxypropanoylamino]Propanoyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₃₃H₆₀N₄O₁₁
• Molecular Weight: 688.86
• CAS Registry Number: 78408-99-8
• SMILES: [C@@H](C(=O)O)(NC([C@@H](NC(C(C)O[C@H]1[C@H](O)[C@@H](CO)O[C@H](O)[C@@H]1NC(CCCCCCCCCCCCCCC)=O)=O)C)=O)CCC(=O)N
• InChI: 1S/C33H60N4O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(40)37-27-29(28(41)24(20-38)48-33(27)46)47-22(3)31(43)35-21(2)30(42)36-23(32(44)45)18-19-25(34)39/h21-24,27-29,33,38,41,46H,4-20H2,1-3H3,(H2,34,39)(H,35,43)(H,36,42)(H,37,40)(H,44,45)/t21-,22?,23+,24+,27+,28+,29+,33-/m0/s1
• InChIKey: PXJKUDSRRQSVIW-MKANCOBZSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 1014.446°C at 760 mmHg (Cal.)
• Flash point: 567.316°C (Cal.)