Lacto-N-Fucopentaose I
[CAS# 7578-25-8]

Identification

• Name: Lacto-N-Fucopentaose I
• Synonyms: N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[(1S,2R,3R)-4-Hydroxy-1-[(1R)-2-Oxo-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Ethyl]-2-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Butoxy]Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-2-[(1S,2R,3R)-4-Hydroxy-1-[(1R)-2-Oxo-1-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Ethyl]-2-[[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-3-[[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Butoxy]-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5S,6R)-4,5-Dihydroxy-2-[(1S,2R,3R)-4-Hydroxy-1-[(1R)-2-Keto-1-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Ethyl]-2-[(2R,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-3-[(2S,3S,4R,5S,6S)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-Butoxy]-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₃₂H₅₅NO₂₅
• Molecular Weight: 853.78
• CAS Registry Number: 7578-25-8
• SMILES: [C@@H](C=O)(O[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@H](O1)CO)[C@@H](O[C@@H]2[C@@H]([C@@H](O)[C@H](O)[C@H](O2)CO)NC(=O)C)[C@H](O[C@@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@H](O3)CO)[C@H](O[C@H]4[C@@H](O)[C@H](O)[C@H](O)[C@@H](O4)C)CO
• InChI: 1S/C32H55NO25/c1-8-16(40)21(45)24(48)30(51-8)55-14(7-38)28(58-32-26(50)23(47)19(43)12(5-36)54-32)27(13(6-37)56-31-25(49)22(46)18(42)11(4-35)53-31)57-29-15(33-9(2)39)20(44)17(41)10(3-34)52-29/h6,8,10-32,34-36,38,40-50H,3-5,7H2,1-2H3,(H,33,39)/t8-,10+,11+,12+,13-,14+,15+,16+,17+,18-,19-,20+,21+,22-,23-,24-,25+,26+,27+,28+,29+,30-,31+,32+/m0/s1
• InChIKey: PURDHDAKEQOEJF-ZQUXULAPSA-N

Properties

• Density: 1.717g/cm³ (Cal.)
• Boiling point: 1277.253°C at 760 mmHg (Cal.)
• Flash point: 726.256°C (Cal.)