Mannosyl(5)-N-Acetyl(2)-Glucose
[CAS# 70573-04-5]

Identification

• Name: Mannosyl(5)-N-Acetyl(2)-Glucose
• Synonyms: N-[(2R,3R,4R,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxo-Ethyl]-3-[(2R,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-2,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy]Butoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-3-Yl]Acetamide; N-[(2R,3R,4R,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Oxoethyl]-3-[[(2R,3S,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-3,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]-2,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]Butoxy]-4,5-Dihydroxy-6-(Hydroxymethyl)-3-Tetrahydropyranyl]Acetamide; N-[(2R,3R,4R,5S,6R)-2-[(1R,2S,3R)-1-[(1R)-1-Acetamido-2-Keto-Ethyl]-3-[(2R,3S,4S,5R,6R)-5-Hydroxy-6-Methylol-3,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Tetrahydropyran-2-Yl]Oxy-2,4-Bis[[(2S,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy]Butoxy]-4,5-Dihydroxy-6-Methylol-Tetrahydropyran-3-Yl]Acetamide
• Molecular Formula: C₄₆H₇₈N₂O₃₆
• Molecular Weight: 1235.11
• CAS Registry Number: 70573-04-5
• SMILES: [C@H](C=O)([C@@H](O[C@H]1[C@@H]([C@@H](O)[C@H](O)[C@H](O1)CO)NC(=O)C)[C@H](O[C@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](O2)CO)[C@H](O[C@@H]5[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)CO)[C@H](O)[C@H](O5)CO)CO[C@@H]6[C@@H](O)[C@@H](O)[C@H](O)[C@H](O6)CO)NC(=O)C
• InChI: 1S/C46H78N2O36/c1-11(56)47-13(3-49)37(81-41-21(48-12(2)57)28(64)22(58)14(4-50)74-41)38(82-43-34(70)30(66)24(60)16(6-52)76-43)20(10-73-42-33(69)29(65)23(59)15(5-51)75-42)80-46-40(84-45-36(72)32(68)26(62)18(8-54)78-45)39(27(63)19(9-55)79-46)83-44-35(71)31(67)25(61)17(7-53)77-44/h3,13-46,50-55,58-72H,4-10H2,1-2H3,(H,47,56)(H,48,57)/t13-,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-,40-,41-,42-,43-,44+,45+,46+/m0/s1
• InChIKey: HNQXDLYBFNWFEE-VHZSLYHRSA-N

Properties

• Density: 1.769g/cm³ (Cal.)
• Boiling point: 1593.081°C at 760 mmHg (Cal.)
• Flash point: 917.262°C (Cal.)