N-[4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxyphenyl]Prop-2-Enamide, Prop-2-Enamide
[CAS# 140440-47-7]

Identification

• Name: N-[4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxyoxan-2-Yl]Oxyphenyl]Prop-2-Enamide, Prop-2-Enamide
• Synonyms: N-[4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxyphenyl]Prop-2-Enamide; Prop-2-Enamide; N-[4-[[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-(Hydroxymethyl)-5-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Oxy]-2-Tetrahydropyranyl]Oxy]Phenyl]Prop-2-Enamide; Prop-2-Enamide; Acrylamide; N-[4-[(2S,3R,4R,5S,6R)-3,4-Dihydroxy-6-Methylol-5-[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxyphenyl]Acrylamide
• Molecular Formula: C₂₄H₃₄N₂O₁₃
• Molecular Weight: 558.54
• CAS Registry Number: 140440-47-7
• SMILES: [C@H]2(O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)OC3=CC=C(NC(=O)C=C)C=C3.O=C(N)C=C
• InChI: 1S/C21H29NO12.C3H5NO/c1-2-13(25)22-9-3-5-10(6-4-9)31-20-18(30)16(28)19(12(8-24)33-20)34-21-17(29)15(27)14(26)11(7-23)32-21;1-2-3(4)5/h2-6,11-12,14-21,23-24,26-30H,1,7-8H2,(H,22,25);2H,1H2,(H2,4,5)/t11-,12-,14+,15+,16-,17-,18-,19-,20-,21+;/m1./s1
• InChIKey: RPSSXTNDXPYTIV-ZNSUUBFISA-N

Properties

• Boiling point: 837.4°C at 760 mmHg (Cal.)
• Flash point: 460.2°C (Cal.)