Validoxylamine A

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Formula C14H25NO8
IUPAC Name (1s,2s,3r,6s)-4-(hydroxymethyl)-6-[[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol
Molecular Mass 335.350 g·mol−1
Heat of Formation -1495.0 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 383.38 Å 3
Surface Area 322.31 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 0.32 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,2s,3r,6s)-4-(hydroxymethyl)-6-[[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol
  • (1s,2s,3r,6s)-4-methylol-6-[[(1s,2s,3s,4r,5r)-2,3,4-trihydroxy-5-methylol-cyclohexyl]amino]cyclohex-4-ene-1,2,3-triol
InChIKey YCJYNBLLJHFIIW-MBABXGOBSA-N
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