4-O-[(1R,2S,3R,4S,5R)-3-{[2-Acetamido-2-Deoxy-3-O-(beta-D-Glucopyranosyl)-beta-D-Glucopyranosyl]Oxy}-4-[(6-Deoxy-L-Galactopyranosyl)Oxy]-2-Hydroxy-5-(Hydroxymethyl)Cyclohexyl]-3-O-(6-Deoxy-alpha-L-Gal Actopyranosyl)-D-Xylo-Hexose
[CAS# 185565-23-5]

Identification

• Name: 4-O-[(1R,2S,3R,4S,5R)-3-{[2-Acetamido-2-Deoxy-3-O-(beta-D-Glucopyranosyl)-beta-D-Glucopyranosyl]Oxy}-4-[(6-Deoxy-L-Galactopyranosyl)Oxy]-2-Hydroxy-5-(Hydroxymethyl)Cyclohexyl]-3-O-(6-Deoxy-alpha-L-Gal Actopyranosyl)-D-Xylo-Hexose
• Molecular Formula: C₃₉H₆₇NO₂₈
• Molecular Weight: 997.94
• CAS Registry Number: 185565-23-5
• SMILES: CC(=O)N[C@@H]5[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](CO)O[C@H]5O[C@H]4[C@@H](OC2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](CO)C[C@@H](O[C@@H]([C@H](O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)C=O)[C@H](O)CO)[C@@H]4O
• InChI: 1S/C39H67NO28/c1-10-20(49)25(54)28(57)37(60-10)65-31-13(5-41)4-16(62-32(14(47)6-42)33(15(48)7-43)66-38-29(58)26(55)21(50)11(2)61-38)23(52)35(31)68-36-19(40-12(3)46)34(24(53)18(9-45)63-36)67-39-30(59)27(56)22(51)17(8-44)64-39/h7,10-11,13-39,41-42,44-45,47-59H,4-6,8-9H2,1-3H3,(H,40,46)/t10-,11-,13+,14+,15-,16+,17+,18+,19+,20+,21+,22+,23-,24+,25+,26+,27-,28-,29-,30+,31-,32+,33+,34+,35+,36-,37?,38-,39-/m0/s1
• InChIKey: RNJJNIREQYKQIV-QDGYNRPDSA-N

Properties

• Density: 1.683g/cm³ (Cal.)
• Boiling point: 1347.095°C at 760 mmHg (Cal.)
• Flash point: 768.495°C (Cal.)
• Refractive index: 1.655 (Cal.)