(2S,3R)-2-Amino-3-{[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-6-(Hydroxymethyl)-3-{[(2R,3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydro-2H-Pyran-2-Yl]Oxy}Tetrahydro-2H-Pyran-2-Yl]Oxy}Butanoic Acid (Non-Preferred Name)

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Properties Simple | Detailed

Formula C16H29NO13
IUPAC Name (2s,3r)-2-amino-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-butanoic acid
Molecular Mass 443.400 g·mol−1
Heat of Formation -2461.8 ± 16.7 kJ·mol−1
Dipole Moment 4.74 ± 1.08 D
Volume 490.55 Å 3
Surface Area 375.44 Å 2
HOMO Energy -9.84 ± 0.55 eV
LUMO Energy 0.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r)-2-amino-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-oxan-2-yl]oxy-butanoic acid
  • (2s,3r)-2-amino-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxybutanoic acid
  • (2s,3r)-2-amino-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-butanoic acid
  • (2s,3r)-2-amino-3-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-methylol-3-[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-butyric acid
  • (2s,3r)-2-amino-3-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-3-[[(2r,3s,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-2-tetrahydropyranyl]oxy]butanoic acid
  • mannopyranosyl-1-2-mannopyranosylthreonine
  • o-(2-o-mannopyranosyl-mannopyranosyl)threonine
  • o-man-man-thr
CAS Number(s)
  • 145435-20-7
InChIKey CWOMVMJEUUEVOR-YUFGCWDRSA-N
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