8-Methoxycarbonyloctyl 6-O-(2-O-(2-acetamido-2-deoxyglucopyranosyl)mannopyranosyl)mannopyranoside
[CAS# 106444-87-5]

Identification

• Name: 8-Methoxycarbonyloctyl 6-O-(2-O-(2-acetamido-2-deoxyglucopyranosyl)mannopyranosyl)mannopyranoside
• Synonyms: Methyl 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxynonanoate; 9-[[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxymethyl]-3,4,5-Trihydroxy-2-Tetrahydropyranyl]Oxy]Nonanoic Acid Methyl Ester; 9-[(2R,3S,4S,5S,6R)-6-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxymethyl]-3,4,5-Trihydroxy-Tetrahydropyran-2-Yl]Oxypelargonic Acid Methyl Ester
• Molecular Formula: C₃₀H₅₃NO₁₈
• Molecular Weight: 715.74
• CAS Registry Number: 106444-87-5
• SMILES: [C@H]1([C@H]([C@@H]([C@@H]([C@H](O1)OC[C@H]2O[C@H]([C@H]([C@H]([C@@H]2O)O)O)OCCCCCCCCC(OC)=O)O[C@@H]3O[C@@H]([C@H]([C@@H]([C@H]3NC(C)=O)O)O)CO)O)O)CO
• InChI: 1S/C30H53NO18/c1-14(34)31-19-23(39)20(36)15(11-32)46-28(19)49-27-25(41)21(37)16(12-33)47-30(27)45-13-17-22(38)24(40)26(42)29(48-17)44-10-8-6-4-3-5-7-9-18(35)43-2/h15-17,19-30,32-33,36-42H,3-13H2,1-2H3,(H,31,34)/t15-,16-,17-,19-,20-,21-,22-,23-,24+,25+,26+,27+,28+,29-,30+/m1/s1
• InChIKey: YCZQLWYIQGIWNG-MEPBBHJSSA-N

Properties

• Density: 1.462g/cm³ (Cal.)
• Boiling point: 967.543°C at 760 mmHg (Cal.)
• Flash point: 538.951°C (Cal.)