(2E)-4-[(2S,3S,4S,5R)-3,4-Dihydroxy-5-({3-[(2S)-3-Hydroxy-2-Butanyl]-2-Oxiranyl}Methyl)Tetrahydro-2H-Pyran-2-Yl]-3-Methyl-2-Butenoic Acid

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Properties Simple | Detailed

Formula C17H28O7
IUPAC Name (e)-4-[(2s,3s,4s,5r)-3,4-dihydroxy-5-[[(2s,3s)-3-[(1s,2r)-2-hydroxy-1-methyl-propyl]oxiran-2-yl]methyl]tetrahydropyran-2-yl]-3-methyl-but-2-enoic acid
Molecular Mass 344.400 g·mol−1
Heat of Formation -1326.1 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 420.49 Å 3
Surface Area 369.08 Å 2
HOMO Energy -10.24 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
InChIKey IUBMRJVNZLQSHU-VSRZSLJKSA-N
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