Methyl 2-O-Acetyl-3-O-(4-Methylbenzoyl)-β-D-Talopyranoside

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Properties Simple | Detailed

Formula C17H22O8
IUPAC Name [(2r,3s,4s,5s,6r)-5-acetoxy-3-hydroxy-2-(hydroxymethyl)-6-methoxy-tetrahydropyran-4-yl] 4-methylbenzoate
Molecular Mass 354.352 g·mol−1
Heat of Formation -1382.5 ± 16.7 kJ·mol−1
Dipole Moment 3.08 ± 1.08 D
Volume 410.99 Å 3
Surface Area 352.47 Å 2
HOMO Energy -9.88 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry C1
InChIKey IYJMKTZAMJWCQH-JLHDYFKBSA-N
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Elements H C O