Methyl 2-S-α-D-Mannopyranosyl-2-Thio-α-D-Mannopyranoside

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Properties Simple | Detailed

Formula C13H24O10S
IUPAC Name (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 372.389 g·mol−1
Heat of Formation -1855.4 ± 16.7 kJ·mol−1
Dipole Moment 1.70 ± 1.08 D
Volume 402.43 Å 3
Surface Area 326.68 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.42 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-oxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-tetrahydropyran-3-yl]sulfanyl-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxyoxan-3-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-2-methoxy-6-methylol-tetrahydropyran-3-yl]thio]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[[(2s,3s,4s,5s,6r)-4,5-dihydroxy-6-(hydroxymethyl)-2-methoxy-3-tetrahydropyranyl]thio]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • methyl-2-s-(alpha-d-mannopyranosyl)-2-thio-alpha-d-mannopyranoside
  • smd
InChIKey WAYOKHSZGNFKSX-ZEEOCKJESA-N
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