3-Aminopropyl 6-Deoxy-4-O-Methyl-α-L-Mannopyranosyl-(1->4)-6-Deoxy-2-O-Methyl-α-L-Galactopyranosyl-(1->3)-6-Deoxy-α-L-Mannopyranosyl-(1->2)-6-Deoxy-α-L-Talopyranoside

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Properties Simple | Detailed

Formula C29H27NO17
IUPAC Name (2s,3r,4r,5s,6s)-2-[(2r,3r,4r,5s,6s)-2-(3-aminopropoxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy-4-[(2s,3s,4r,5s,6s)-5-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyloxan-2-yl]oxy-6-methyloxane-3,5-diol
Molecular Mass 661.521 g·mol−1
Heat of Formation -3221.9 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 798.67 Å 3
Surface Area 579.69 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4r,5s,6s)-2-[(2r,3r,4r,5s,6s)-2-(3-aminopropoxy)-4,5-dihydroxy-6-methyl-oxan-3-yl]oxy-4-[(2s,3s,4r,5s,6s)-5-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyl-oxan-2-yl]oxy-4-hydroxy-3-methoxy-6-methyl-oxan-2-yl]oxy-6-methyl-oxane-3,5-diol
  • (2s,3r,4r,5s,6s)-2-[(2r,3r,4r,5s,6s)-2-(3-aminopropoxy)-4,5-dihydroxy-6-methyl-tetrahydropyran-3-yl]oxy-4-[(2s,3s,4r,5s,6s)-5-[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-4-hydroxy-3-methoxy-6-methyl-tetrahydropyran-2-yl]oxy-6-methyl-tetrahydropyran-3,5-diol
  • (2s,3r,4r,5s,6s)-2-[[(2r,3r,4r,5s,6s)-2-(3-aminopropoxy)-4,5-dihydroxy-6-methyl-3-tetrahydropyranyl]oxy]-4-[[(2s,3s,4r,5s,6s)-5-[[(2s,3r,4s,5r,6s)-3,4-dihydroxy-5-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-4-hydroxy-3-methoxy-6-methyl-2-tetrahydropyranyl]oxy]-6-methyltetrahydropyran-3,5-diol
  • 3-aminopropyl 6-deoxy-2-o-(3-o-(2-o-methyl-(4-o-methylrhamnopyranosyl)fucopyranosyl)rhamnopyranosyl)talopyranoside
  • 3np-mmrfrt
CAS Number(s)
  • 148404-60-8
InChIKey DMCKJTFEHYELGM-DDOBRSFTSA-N
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