(2E,6E)-3,7-Dimethyl-8-({5-[(3As,4S,6Ar)-2-Oxohexahydro-1H-Thieno[3,4-D]Imidazol-4-Yl]Pentanoyl}Amino)-2,6-Octadien-1-Yl Trihydrogen Diphosphate

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Formula C20H35N3O9P2S
IUPAC Name [(2e,6e)-8-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-3,7-dimethyl-octa-2,6-dienyl] phosphono hydrogen phosphate
Molecular Mass 555.519 g·mol−1
Heat of Formation -2285.8 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 633.61 Å 3
Surface Area 562.72 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
InChIKey XZJFCDBLIMGOSX-VRLLXNLQSA-N
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