(2S)-1-[(2S)-4-Amino-2-{[(2S,3R,4S,5R,6R)-5-Hydroxy-6-(Hydroxymethyl)-4-{[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}-3-{[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}Tetrahydro-2H-Pyran-2-Yl]Amino}-4-Oxobutanoyl]-2-Pyrrolidinecarboxylic Acid

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Properties Simple | Detailed

Formula C19H47N3O19
IUPAC Name ammonia; 2-[[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-4-[(2r,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-3-[(2s,3r,4s,5r)-3,4,5-trihydroxytetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]amino]-n-methyl-acetamide; pentahydrate
Molecular Mass 621.585 g·mol−1
Heat of Formation -3659.9 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 776.41 Å 3
Surface Area 532.31 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-[(2s)-4-amino-2-[[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]amino]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid
  • (2s)-1-[(2s)-4-amino-2-[[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]amino]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-4-amino-2-[[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]amino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-4-amino-2-[[(2s,3r,4s,5r,6r)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]tetrahydropyran-2-yl]amino]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid
  • (2s)-1-[(2s)-4-amino-2-[[(2s,3r,4s,5r,6r)-5-hydroxy-6-methylol-3,4-bis[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]tetrahydropyran-2-yl]amino]-4-keto-butanoyl]proline
  • ggapga
  • l-proline, 1-(n-(o-alpha-d-glucopyranosyl-(1-6)-o-beta-d-glucopyranosyl-(1-6)-alpha-d-glucopyranosyl)-l-asparaginyl)-
  • o-alpha-d-glucopyranosyl-(1-6)-o-beta-d-glucopyranosyl-(1-6)-1-n-(l-aspart-1-oyl-(l-proline)-4-oyl)-alpha-d-glucopyranosylamine
  • o-glucopyranosyl-(1-6)-o-glucopyranosyl-(1-6)-1-n-(aspart-1-oyl-proline-4-oyl)glucopyranosylamine
CAS Number(s)
  • 131088-79-4
InChIKey KUZDTVFZBWIZGU-TVQLBTJFSA-N
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