2-Acetamido-2-Deoxy-alpha-D-Glucopyranosyl-(1->3)-[6-Deoxy-alpha-L-Galactopyranosyl-(1->5)]-[6-Deoxy-alpha-L-Galactopyranosyl-(1->2)-alpha-D-Galactopyranosyl-(1->4)]-[alpha-D-Galactopyranosyl-(1->2)]- D-Glucose
[CAS# 482638-98-2]

Identification

• Name: 2-Acetamido-2-Deoxy-alpha-D-Glucopyranosyl-(1->3)-[6-Deoxy-alpha-L-Galactopyranosyl-(1->5)]-[6-Deoxy-alpha-L-Galactopyranosyl-(1->2)-alpha-D-Galactopyranosyl-(1->4)]-[alpha-D-Galactopyranosyl-(1->2)]- D-Glucose
• Synonyms: D-Glucose, O-6-deoxy-α-L-galactopyranosyl-(1-4)-O-(O-6-deoxy-α-L-galactopyranosyl-(1-2)-β-D-galactopyranosyl-(1-3))-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-3)-O-β-D-galactopyranosyl-(1-4)-; Lacto-N-difucohexaose I
• Molecular Formula: C₃₈H₆₅NO₂₉
• Molecular Weight: 999.91
• CAS Registry Number: 482638-98-2
• SMILES: O=C[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2NC(=O)C)CO)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O[C@@H]5O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)CO
• InChI: 1S/C38H65NO29/c1-9-18(46)24(52)28(56)35(59-9)64-16(8-44)32(67-38-33(27(55)22(50)14(6-42)63-38)68-36-29(57)25(53)19(47)10(2)60-36)31(15(7-43)65-37-30(58)26(54)21(49)13(5-41)62-37)66-34-17(39-11(3)45)23(51)20(48)12(4-40)61-34/h7,9-10,12-38,40-42,44,46-58H,4-6,8H2,1-3H3,(H,39,45)/t9-,10-,12+,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+/m0/s1
• InChIKey: PSJVAGXZRSPYJB-UUXGNFCPSA-N

Properties

• Density: 1.715g/cm³ (Cal.)
• Boiling point: 1365.614°C at 760 mmHg (Cal.)
• Flash point: 779.695°C (Cal.)
• Refractive index: 1.658 (Cal.)