5-S-Methyl-1-O-Phosphono-5-Thio-D-Xylulose

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Properties Simple | Detailed

Formula C6H13O7PS
IUPAC Name [(3s,4s)-3,4-dihydroxy-5-methylsulfanyl-2-oxo-pentyl] dihydrogen phosphate
Molecular Mass 260.202 g·mol−1
Heat of Formation -1573.6 ± 16.7 kJ·mol−1
Dipole Moment 6.59 ± 1.08 D
Volume 281.25 Å 3
Surface Area 252.45 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
InChIKey CNSJRYUMVMWNMC-PHDIDXHHSA-N
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