(3Ar,4R,5R,6S,6As)-2-(Dimethylamino)-4-Hydroxy-6-(Hydroxymethyl)-4,5,6,6A-Tetrahydro-3Ah-Cyclopenta[D][1,3]Oxazol-5-Yl 2-Acetamido-4-O-(2-Acetamido-2-Deoxy-β-D-Glucopyranosyl)-2-Deoxy-β-D-Glucopyranoside

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Properties Simple | Detailed

Formula C25H42N4O14
IUPAC Name n-[(2s,3r,4r,5s,6r)-2-[(2r,3s,4r,5r,6r)-6-[[(3ar,4r,5r,6s,6as)-2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazol-5-yl]oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
Molecular Mass 622.619 g·mol−1
Heat of Formation -2501.7 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 723.6 Å 3
Surface Area 563.78 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 0.82 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(dimethylamino)-4-hydroxy-6-(hydroxymethyl)-3a,5,6,6a-tetrahydro-4h-cyclopentoxazol-5-yl 2-acetamido-4-o-(2-acetamido-2-deoxyglucopyranosyl)-2-deoxyglucopyranoside
  • n,n'-diacetyl-beta-chitobiosyl allosamizoline
  • n,n'-diacetylchitobiosyl allosamizoline
  • n-[(2r,3r,4r,5s,6r)-2-[[(3ar,4r,5r,6s,6as)-2-dimethylamino-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[[(3ar,4r,5r,6s,6as)-2-dimethylamino-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2r,3r,4r,5s,6r)-2-[[(3ar,4r,5r,6s,6as)-2-dimethylamino-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazol-5-yl]oxy]-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[[(3ar,4r,5r,6s,6as)-2-dimethylamino-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazol-5-yl]oxy]-5-[[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4r,5s,6r)-2-[[(3ar,4r,5r,6s,6as)-2-dimethylamino-4-hydroxy-6-methylol-4,5,6,6a-tetrahydro-3ah-cyclopenta[d]oxazol-5-yl]oxy]-5-[(2s,3r,4r,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
CAS Number(s)
  • 153322-50-0
InChIKey MDWNFWDBQGOKNZ-SUAWCTRXSA-N
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