1-Thiatrehazolin

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Formula C13H22N2O9S
IUPAC Name (3as,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]thiazole-4,5,6-triol
Molecular Mass 382.387 g·mol−1
Heat of Formation -1619.9 ± 16.7 kJ·mol−1
Dipole Moment 3.51 ± 1.08 D
Volume 408.61 Å 3
Surface Area 330.81 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry C1
Synonyms
  • (3as,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]thiazole-4,5,6-triol
  • (3as,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]thiazole-4,5,6-triol
  • (3as,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]thiazole-4,5,6-triol
  • (3as,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]thiazole-4,5,6-triol
InChIKey UISBBVOCYJQFAA-UXTOMXPUSA-N
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