(2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-Amino-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
[CAS# 126550-86-5]

Identification

• Name: (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-Amino-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-4,5-Dihydroxy-2-(Hydroxymethyl)Oxan-3-Yl]Oxy-6-(Hydroxymethyl)Oxane-3,4,5-Triol
• Synonyms: (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-Amino-3-Hydroxy-Octadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-2-(Hydroxymethyl)Tetrahydropyran-3-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5R,6R)-2-[[(2R,3R,4R,5R,6S)-6-[[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-Amino-3-Hydroxyoctadec-4-Enoxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-4,5-Dihydroxy-2-(Hydroxymethyl)-3-Tetrahydropyranyl]Oxy]-6-(Hydroxymethyl)Tetrahydropyran-3,4,5-Triol; (2R,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6S)-6-[(2R,3S,4R,5R,6R)-6-[(E,2S,3R)-2-Amino-3-Hydroxy-Octadec-4-Enoxy]-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-4,5-Dihydroxy-2-Methylol-Tetrahydropyran-3-Yl]Oxy-6-Methylol-Tetrahydropyran-3,4,5-Triol
• Molecular Formula: C₃₆H₆₇NO₁₇
• Molecular Weight: 785.92
• CAS Registry Number: 126550-86-5
• SMILES: [C@H]3(O[C@@H]2O[C@@H]([C@H](O[C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)[C@H]2O)CO)[C@H](O)[C@@H](O)[C@@H](O[C@@H]3CO)OC[C@H](N)[C@H](O)\C=C\CCCCCCCCCCCCC
• InChI: 1S/C36H67NO17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(41)20(37)19-49-34-30(47)27(44)32(23(17-39)51-34)54-36-31(48)28(45)33(24(18-40)52-36)53-35-29(46)26(43)25(42)22(16-38)50-35/h14-15,20-36,38-48H,2-13,16-19,37H2,1H3/b15-14+/t20-,21+,22+,23+,24+,25-,26-,27+,28+,29+,30+,31+,32+,33-,34+,35+,36-/m0/s1
• InChIKey: GRGNVOCPFLXGDQ-TWHXEDJUSA-N

Properties

• Density: 1.376g/cm³ (Cal.)
• Boiling point: 1005.793°C at 760 mmHg (Cal.)
• Flash point: 562.083°C (Cal.)

References

• (1): Hancock et al.. Designer enzymes for glycosphingolipid synthesis by directed evolution, Nature Chemical Biology, 2009