Trehazolin

Molecule SVG Image

Properties Simple | Detailed

Formula C13H22N2O10
IUPAC Name (3ar,4r,5s,6s,6as)-4-(hydroxymethyl)-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d]oxazole-4,5,6-triol
Molecular Mass 366.321 g·mol−1
Heat of Formation -1799.7 ± 16.7 kJ·mol−1
Dipole Moment 1.92 ± 1.08 D
Volume 395.16 Å 3
Surface Area 331.39 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • (3ar,4r,5s,6s,6as)-4-(hydroxymethyl)-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d]oxazole-4,5,6-triol
  • (3ar,4r,5s,6s,6as)-4-(hydroxymethyl)-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]oxazole-4,5,6-triol
  • (3ar,4r,5s,6s,6as)-4-(hydroxymethyl)-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d]oxazole-4,5,6-triol
  • (3ar,4r,5s,6s,6as)-4-methylol-2-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]amino]-3a,5,6,6a-tetrahydrocyclopenta[d]oxazole-4,5,6-triol
  • trehalostatin
CAS Number(s)
  • 132729-37-4
InChIKey NRKVPNOUINUNKY-UXTOMXPUSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N