Methyl 4,6-Dideoxy-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 C14H25NO8
IUPAC Name (1s,2s,3r,6r)-6-[[(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
Molecular Mass 335.350 g·mol−1
Heat of Formation -1480.2 ± 16.7 kJ·mol−1
Dipole Moment 3.54 ± 1.08 D
Volume 380.58 Å 3
Surface Area 317.44 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,6r)-6-[[(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methyl-3-tetrahydropyranyl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methyl-oxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methyl-tetrahydropyran-3-yl]amino]-4-methylol-cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6r)-6-[[(2r,3s,4s,5r,6s)-4,5-dihydroxy-6-methoxy-2-methyloxan-3-yl]amino]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
  • methyl 1'-epiacarviosin
CAS Number(s)
  • 140148-00-1
InChIKey KFHKERRGDZTZQJ-YMRGHLOJSA-N
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