(1S)-1,2-Anhydro-4-Deoxy-4-[(2S,3S)-3-Hydroxy-2-(Hydroxymethyl)-5-Oxoheptanoyl]-2-Methyl-1-[(2S,3Z)-3-Penten-2-Yl]-D-Xylitol

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Properties Simple | Detailed

Formula C19H32O7
IUPAC Name (1s,2r,4s,5s)-1,5-dihydroxy-2,4-bis(hydroxymethyl)-1-[(2r,3s)-2-methyl-3-[(z,1s)-1-methylbut-2-enyl]oxiran-2-yl]nonane-3,7-dione
Molecular Mass 372.453 g·mol−1
Heat of Formation -1321.8 ± 16.7 kJ·mol−1
Dipole Moment 4.26 ± 1.08 D
Volume 474.24 Å 3
Surface Area 358.92 Å 2
HOMO Energy -9.98 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
InChIKey SEOOELCVWMBGMD-MYFXUMFZSA-N
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