[(3S)-3-Hydroxy-2,2-Dimethyl-4-[[3-[2-[(Z)-Octadec-9-Enoyl]Sulfanylethylamino]-3-Oxo-Propyl]Amino]-4-Oxo-Butoxy]-Oxido-Oxo-Phosphonium

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Properties Simple | Detailed

Formula C29H53N2O7PS
IUPAC Name [(3s)-3-hydroxy-2,2-dimethyl-4-[[3-[2-[(z)-octadec-9-enoyl]sulfanylethylamino]-3-oxo-propyl]amino]-4-oxo-butoxy]-oxido-oxo-phosphonium
Molecular Mass 604.779 g·mol−1
Heat of Formation -1784.7 ± 16.7 kJ·mol−1
Dipole Moment 4.45 ± 1.08 D
Volume 780.71 Å 3
Surface Area 704.05 Å 2
HOMO Energy -9.40 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
InChIKey GFNNTZJYVMQQQW-FRSJXWKWSA-N
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