Lacto-N-Triose I
[CAS# 64317-83-5]

Identification

• Name: Lacto-N-Triose I
• Synonyms: N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-2,3,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-4-Yl]Oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-(Hydroxymethyl)-2-[[(2S,3R,4S,5S,6R)-2,3,5-Trihydroxy-6-(Hydroxymethyl)-4-Tetrahydropyranyl]Oxy]-4-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-Tetrahydropyranyl]Acetamide; N-[(2S,3R,4R,5S,6R)-5-Hydroxy-6-Methylol-2-[(2S,3R,4S,5S,6R)-2,3,5-Trihydroxy-6-Methylol-Tetrahydropyran-4-Yl]Oxy-4-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₂₀H₃₅NO₁₆
• Molecular Weight: 545.49
• CAS Registry Number: 64317-83-5
• SMILES: [C@H]3(O[C@@H]1[C@H]([C@@H](O)O[C@@H]([C@@H]1O)CO)O)[C@H](NC(C)=O)[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@H](O2)CO)[C@H](O)[C@H](O3)CO
• 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.)