Methyl 4-Deoxy-4-{[(1R,4R,5S,6S)-4,5,6-Trihydroxy-3-(Hydroxymethyl)-2-Cyclohexen-1-Yl]Amino}-α-D-Glucopyranoside

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Properties Simple | Detailed

Formula C14H25NO9
IUPAC Name (1s,2s,3r,6r)-6-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Molecular Mass 351.350 g·mol−1
Heat of Formation -1617.2 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 394.23 Å 3
Surface Area 328.39 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,6r)-6-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-3-tetrahydropyranyl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-oxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2s,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methylol-tetrahydropyran-3-yl]amino]-4-methylol-cyclohex-4-ene-1,2,3-triol
  • 6-hmecv
  • 6-hydroxy-methyl 1'-epiacarviosin
  • alpha-d-glucopyranoside, methyl 4-deoxy-4-((4,5,6-trihydroxy-3-(hydroxymethyl)-2-cyclohexen-1-yl)amino)-, (1r-(1alpha,4beta,5alpha,6beta))-
CAS Number(s)
  • 101144-24-5
InChIKey UQSNMDDZJRJJQN-PEQZYJMFSA-N
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