3-Deoxy-3-[(3-Methoxybenzoyl)Amino]-β-D-Galactopyranosyl 3-Deoxy-3-[(3-Methoxybenzoyl)Amino]-1-Thio-β-D-Galactopyranoside

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Properties Simple | Detailed

Formula C28H36N2O12S
IUPAC Name n-[(2s,3r,4s,5r,6r)-2-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzoyl)amino]tetrahydropyran-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]-3-methoxy-benzamide
Molecular Mass 624.657 g·mol−1
Heat of Formation -1938.0 ± 16.7 kJ·mol−1
Dipole Moment 8.33 ± 1.08 D
Volume 707.3 Å 3
Surface Area 583.4 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C2
Synonyms
  • n-[(2s,3r,4s,5r,6r)-2-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzoyl)amino]oxan-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-methoxybenzamide
  • n-[(2s,3r,4s,5r,6r)-2-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzoyl)amino]tetrahydropyran-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-4-yl]-3-methoxy-benzamide
  • n-[(2s,3r,4s,5r,6r)-2-[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxyphenyl)carbonylamino]oxan-2-yl]sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-methoxy-benzamide
  • n-[(2s,3r,4s,5r,6r)-2-[[(2s,3r,4s,5r,6r)-3,5-dihydroxy-4-[(3-methoxybenzoyl)amino]-6-methylol-tetrahydropyran-2-yl]thio]-3,5-dihydroxy-6-methylol-tetrahydropyran-4-yl]-3-methoxy-benzamide
  • n-[(2s,3r,4s,5r,6r)-2-[[(2s,3r,4s,5r,6r)-3,5-dihydroxy-6-(hydroxymethyl)-4-[[(3-methoxyphenyl)-oxomethyl]amino]-2-tetrahydropyranyl]thio]-3,5-dihydroxy-6-(hydroxymethyl)-4-tetrahydropyranyl]-3-methoxybenzamide
InChIKey QBKIEMZLDPHISU-CWKIZLMASA-N
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