2-Amino-2-Deoxy-β-D-Glucopyranosyl-(1->3)-[2-Amino-2-Deoxy-β-D-Glucopyranosyl-(1->4)]-[2-Amino-2-Deoxy-β-D-Glucopyranosyl-(1->5)]-2-Amino-2-Deoxy-D-Glucose

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Properties Simple | Detailed

Formula C24H18N4O17
IUPAC Name [2,3-dioxo-1-(oxomethylene)propyl] formate; formonitrile; (e,2s)-2-[(2r)-3-imino-4,5-dioxo-6-(oxomethylene)tetrahydropyran-2-yl]oxy-4-[(2s)-3-imino-4,5-dioxo-pyran-2-yl]oxy-but-3-enenitrile; methanone
Molecular Mass 634.416 g·mol−1
Heat of Formation -3081.0 ± 16.7 kJ·mol−1
Dipole Moment 7.76 ± 1.08 D
Volume 748.13 Å 3
Surface Area 540.01 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5r)-2-amino-3,4,5-tris[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]-6-hydroxyhexanal
  • (2r,3r,4s,5r)-2-amino-3,4,5-tris[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6-hydroxy-hexanal
  • (2r,3r,4s,5r)-2-amino-3,4,5-tris[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]-6-hydroxyhexanal
  • (2r,3r,4s,5r)-2-amino-3,4,5-tris[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy]-6-hydroxy-hexanal
  • (2r,3r,4s,5r)-2-amino-3,4,5-tris[[(2r,3r,4r,5s,6r)-3-amino-4,5-dihydroxy-6-methylol-tetrahydropyran-2-yl]oxy]-6-hydroxy-hexanal
  • chitintetraose
  • chitotetraose
  • chitotetrose
  • d-glucose, o-2-amino-2-deoxy-beta-d-glucopyranosyl-(1-4)-o-2-amino-2-deoxy-beta-d-glucopyranosyl-(1-4)-o-2-amino-2-deoxy-beta-d-glucopyranosyl-(1-4)-2-amino-2-deoxy-
CAS Number(s)
  • 26539-16-2
InChIKey PLTFUIJWEMYGMI-FPUJRICXSA-N
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