4-S-(6-O-Phosphono-α-L-Idopyranosyl)-4-Thio-Beta-D-Glucopyranose

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Properties Simple | Detailed

Formula C12H23O13PS
IUPAC Name [(2s,3s,4s,5r,6s)-3,4,5-trihydroxy-6-[(2r,3s,4r,5r,6r)-4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]sulfanyl-tetrahydropyran-2-yl]methyl dihydrogen phosphate
Molecular Mass 438.342 g·mol−1
Heat of Formation -2734.6 ± 16.7 kJ·mol−1
Dipole Moment 3.01 ± 1.08 D
Volume 443.67 Å 3
Surface Area 339.93 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
InChIKey XGJJBBUPFWZKFA-GABYZZBISA-N
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