(5R)-1,5-Anhydro-4-[(2Z)-4-Carboxy-2-Buten-1-Yl]-2,4-Dideoxy-5-[(1E)-3-Hydroxy-1-Octen-1-Yl]-D-Erythro-Pentitol

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Properties Simple | Detailed

Formula C18H30O5
IUPAC Name (z)-5-[(2r,3s,4s)-4-hydroxy-2-[(e,3s)-3-hydroxyoct-1-enyl]tetrahydropyran-3-yl]pent-3-enoic acid
Molecular Mass 326.428 g·mol−1
Heat of Formation -1030.7 ± 16.7 kJ·mol−1
Dipole Moment 3.39 ± 1.08 D
Volume 429.27 Å 3
Surface Area 350.6 Å 2
HOMO Energy -9.89 ± 0.55 eV
LUMO Energy 0.40 ± eV
Point Group Symmetry C1
InChIKey CMBTXTLLBGRNAY-UKJMTIHWSA-N
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Elements H C O