3-O-(2-Acetamido-4,6-Di-O-Acetyl-2-Deoxy-3-O-(2,3,4,6-Tetra-O-Acetyl-Beta-Galactopyranosyl)-Beta-Glucopyranosyl)-2,4,6-Tri-O-Acetyl-Alpha-Galactopyranosyl Bromide
[CAS# 92596-17-3]

Identification

• Name: 3-O-(2-Acetamido-4,6-Di-O-Acetyl-2-Deoxy-3-O-(2,3,4,6-Tetra-O-Acetyl-Beta-Galactopyranosyl)-Beta-Glucopyranosyl)-2,4,6-Tri-O-Acetyl-Alpha-Galactopyranosyl Bromide
• Synonyms: [(2R,3S,5R,6S)-5-Acetamido-2-(Acetoxymethyl)-6-[(2S,3R,4R,5S,6S)-3,5-Diacetoxy-2-(Acetoxymethyl)-6-Bromo-Tetrahydropyran-4-Yl]Oxy-4-[(2R,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2R
• Molecular Formula: C₃₈H₅₂BrNO₂₄
• Molecular Weight: 986.73
• CAS Registry Number: 92596-17-3
• SMILES: [C@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)C)OC2[C@@H]([C@H](O[C@H]([C@@H]2NC(=O)C)O[C@H]3[C@@H]([C@@H](O[C@H]([C@H]3OC(C)=O)COC(=O)C)Br)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(C)=O
• InChI: 1S/C38H52BrNO24/c1-14(41)40-27-31(63-38-35(59-23(10)50)33(57-21(8)48)30(56-20(7)47)26(62-38)13-53-17(4)44)28(54-18(5)45)25(12-52-16(3)43)61-37(27)64-32-29(55-19(6)46)24(11-51-15(2)42)60-36(39)34(32)58-22(9)49/h24-38H,11-13H2,1-10H3,(H,40,41)/t24-,25+,26+,
• InChIKey: KYKVIJMXBPRQBV-IKOTYEOCSA-N

Properties

• Density: 1.471g/cm³ (Cal.)
• Boiling point: 896.344°C at 760 mmHg (Cal.)
• Flash point: 495.891°C (Cal.)