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

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Properties Simple | Detailed

Formula C13H23NO8
IUPAC Name (2s,3r,4s,5s,6r)-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]tetrahydropyran-2,3,4-triol
Molecular Mass 321.324 g·mol−1
Heat of Formation -1500.8 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 361.95 Å 3
Surface Area 306.54 Å 2
HOMO Energy -9.42 ± 0.55 eV
LUMO Energy 3.55 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,4s,5s,6r)-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]oxane-2,3,4-triol
  • (2s,3r,4s,5s,6r)-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-(hydroxymethyl)-1-cyclohex-2-enyl]amino]tetrahydropyran-2,3,4-triol
  • (2s,3r,4s,5s,6r)-6-methyl-5-[[(1s,4r,5s,6s)-4,5,6-trihydroxy-3-methylol-1-cyclohex-2-enyl]amino]tetrahydropyran-2,3,4-triol
  • 6-methyl-5-(4,5,6-trihydroxy-3-hydroxymethyl-cyclohex-2-enylamino)-tetrahydro-pyran-2,3,4-triol
  • ac1
  • daf
  • n-[4-hydroxymethyl-cyclohexan-6-yl-1,2,3-triol]-4,6-dideoxy-4-aminoglucopyranoside
InChIKey RBZIIHWPZWOIDU-ZCGMLSCUSA-N
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