[(2R,3S,4R,5R,6S)-2-(Acetyloxymethyl)-5-(1,3-Dioxoisoindol-2-Yl)-6-Phenylsulfanyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Triacetyloxy-6-(Acetyloxymethyl)Oxan-2-Yl]Oxyoxan-3-Yl] Acetate
[CAS# 148705-04-8]

Identification

• Name: [(2R,3S,4R,5R,6S)-2-(Acetyloxymethyl)-5-(1,3-Dioxoisoindol-2-Yl)-6-Phenylsulfanyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Triacetyloxy-6-(Acetyloxymethyl)Oxan-2-Yl]Oxyoxan-3-Yl] Acetate
• Synonyms: [(2R,3S,4R,5R,6S)-2-(Acetoxymethyl)-5-(1,3-Dioxoisoindolin-2-Yl)-6-Phenylsulfanyl-4-[(2R,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Acetate; Acetic Acid [(2R,3S,4R,5R,6S)-2-(Acetoxymethyl)-5-(1,3-Dioxo-2-Isoindolinyl)-6-(Phenylthio)-4-[[(2R,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl] Ester; Acetic Acid [(2R,3S,4R,5R,6S)-2-(Acetoxymethyl)-5-(1,3-Diketoisoindolin-2-Yl)-6-(Phenylthio)-4-[(2R,3R,4S,5S,6R)-3,4,5-Triacetoxy-6-(Acetoxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl] Ester
• Molecular Formula: C₃₈H₄₁NO₁₇S
• Molecular Weight: 815.80
• CAS Registry Number: 148705-04-8
• SMILES: [C@@H]4(N1C(=O)C2=C(C1=O)C=CC=C2)[C@@H](O[C@@H]3O[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]3OC(=O)C)COC(=O)C)[C@H](OC(=O)C)[C@H](O[C@H]4SC5=CC=CC=C5)COC(=O)C
• InChI: 1S/C38H41NO17S/c1-18(40)48-16-27-31(51-21(4)43)33(52-22(5)44)34(53-23(6)45)37(54-27)56-32-29(39-35(46)25-14-10-11-15-26(25)36(39)47)38(57-24-12-8-7-9-13-24)55-28(17-49-19(2)41)30(32)50-20(3)42/h7-15,27-34,37-38H,16-17H2,1-6H3/t27-,28-,29-,30-,31+,32-,33+,34-,37+,38+/m1/s1
• InChIKey: MKHUYWRGPWAYHK-HTHPTONZSA-N

Properties

• Density: 1.437g/cm³ (Cal.)
• Boiling point: 823.837°C at 760 mmHg (Cal.)
• Flash point: 452.04°C (Cal.)