[(3S)-4-{[3-({2-[(9Z)-9-Hexadecenoylsulfanyl]Ethyl}Amino)-3-Oxopropyl]Amino}-3-Hydroxy-2,2-Dimethyl-4-Oxobutoxy](Oxo)Phosphoniumolate

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Properties Simple | Detailed

Formula C27H35N2O7PS
IUPAC Name hydron; s-[2-[3-[5-[hydroxy(methanidyloxy)phosphoryl]oxypent-2-ynoylamino]propanoylamino]ethynyl] (z)-hexadec-9-en-3,7-diynethioate
Molecular Mass 584.789 g·mol−1
Heat of Formation -1191.0 ± 16.7 kJ·mol−1
Dipole Moment 10.76 ± 1.08 D
Volume 894.2 Å 3
Surface Area 812.69 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy -1.99 ± eV
Point Group Symmetry C1
InChIKey ZEHWFQBKBMTVDR-HAAQQRBASA-N
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