N-Acetylchitooctaose
[CAS# 150921-27-0]

Identification

• Name: N-Acetylchitooctaose
• Synonyms: N-[2-[5-Acetamido-6-[5-Acetamido-6-[5-Acetamido-6-[5-Acetamido-1,2,4-Trihydroxy-6-[2-(4-Hydroxyphenyl)Ethylamino]Hexan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4-Hydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-5-[3-Acetamido-5-[3-Acetamido-5-[3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-4-Hydroxy-6-(Hydroxymethyl)Oxan-3-Yl]Ethanamide; (Glcnac)8; N-Acetylchitooctaose
• Molecular Formula: C₇₂H₁₁₇N₉O₄₁
• Molecular Weight: 1764.75
• CAS Registry Number: 150921-27-0
• SMILES: C8=C(CCNCC(NC(=O)C)C(O)C(OC7OC(C(OC6OC(C(OC5OC(C(OC4OC(C(OC3OC(C(OC2OC(C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)CO)C(O)C4NC(=O)C)CO)C(O)C5NC(=O)C)CO)C(O)C6NC(=O)C)CO)C(O)C7NC(=O)C)CO)C(O)CO)C=CC(=C8)O
• InChI: 1S/C72H117N9O41/c1-24(90)74-34(15-73-14-13-32-9-11-33(98)12-10-32)50(100)59(35(99)16-82)116-67-44(76-26(3)92)53(103)61(37(18-84)110-67)118-69-46(78-28(5)94)55(105)63(39(20-86)112-69)120-71-48(80-30(7)96)57(107)65(41(22-88)114-71)122-72-49(81-31(8)97)58(108)64(42(23-89)115-72)121-70-47(79-29(6)95)56(106)62(40(21-87)113-70)119-68-45(77-27(4)93)54(104)60(38(19-85)111-68)117-66-43(75-25(2)91)52(102)51(101)36(17-83)109-66/h9-12,34-73,82-89,98-108H,13-23H2,1-8H3,(H,74,90)(H,75,91)(H,76,92)(H,77,93)(H,78,94)(H,79,95)(H,80,96)(H,81,97)
• InChIKey: OVXKCXRAHKVFNJ-UHFFFAOYSA-N

Properties

• Density: 1.594g/cm³ (Cal.)
• Boiling point: 1941.933°C at 760 mmHg (Cal.)
• Flash point: 1128.24°C (Cal.)