Allosamidin

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Properties Simple | Detailed

Formula C25H42N4O14
IUPAC Name n-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,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 -2591.6 ± 16.7 kJ·mol−1
Dipole Moment 6.13 ± 1.08 D
Volume 714.45 Å 3
Surface Area 518.5 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy 0.91 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4r,5r,6s,6as)-2-(dimethylamino)-3a,5,6,6a-tetrahydro-4-hydroxy-6-(hydroxymethyl)-4h-cyclopentoxazol-5-yl-2-(acetylamino)-4-o-[2-(acetylamino)-2-deoxy-beta-d-allopyranosyl]-2-deoxy-beta-d-allopyranoside
  • a 82516
  • a-82516
  • allosamidine
  • beta-d-allopyranoside, 2-(dimethylamino)-3a,5,6,6a-tetrahydro-4-hydroxy-6-(hydroxymethyl)-4h-cyclopentoxazol-5-yl 2-(acetylamino)-4-o-(2-(acetylamino)-2-deoxy-beta-d-allopyranosyl)-2-deoxy-, (3aalpha,4beta,5beta,6alpha,6aalpha)-
  • n-[(2r,3r,4s,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,4s,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • n-[(2r,3r,4s,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,4s,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
  • n-[(2r,3r,4s,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,4s,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)tetrahydropyran-3-yl]acetamide
  • n-[(2r,3r,4s,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,4s,5s,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-4-hydroxy-6-(hydroxymethyl)-3-tetrahydropyranyl]acetamide
  • n-[(2r,3r,4s,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,4s,5s,6r)-3-acetamido-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-4-hydroxy-6-methylol-tetrahydropyran-3-yl]acetamide
  • naa-(1-4)naa-(1-4)ami
CAS Number(s)
  • 103782-08-7
InChIKey MDWNFWDBQGOKNZ-XYUDZHFQSA-N
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