beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranose
[CAS# 75645-27-1]

Identification

• Name: beta-D-Galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-alpha-D-galactopyranose
• Synonyms: Lacto-N-triose I; α-D-Galactopyranose, O-β-D-galactopyranosyl-(1-3)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1-3)-
• Molecular Formula: C₂₀H₃₅NO₁₆
• Molecular Weight: 545.49
• CAS Registry Number: 75645-27-1
• SMILES: O=C(N[C@@H]3[C@@H](O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O[C@H]3O[C@H]2[C@@H](O)[C@H](O[C@H](O)[C@@H]2O)CO)CO)C
• InChI: 1S/C20H35NO16/c1-5(25)21-9-16(36-20-14(30)13(29)10(26)6(2-22)35-20)11(27)8(4-24)34-19(9)37-17-12(28)7(3-23)33-18(32)15(17)31/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)/t6-,7-,8-,9-,10+,11-,12+,13+,14-,15-,16-,17+,18+,19+,20+/m1/s1
• InChIKey: CJOPBLPCFAQCNO-NJGGIFKPSA-N

Properties

• Density: 1.716g/cm³ (Cal.)
• Boiling point: 962.788°C at 760 mmHg (Cal.)
• Flash point: 536.075°C (Cal.)