[(2R,3R,4R,5S,6R)-4-[(1R)-2-[[(1S)-2-[2-[2-[2-[5-[(3As,4S,6Ar)-2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-4-Yl]Pentanoylamino]Ethoxy]Ethoxy]Ethylamino]-1-Methyl-2-Oxo-Ethyl]Amino]-1-Methyl-2-Oxo-Ethoxy]-3-Acetamido-5-[(2S,3R,4R,5R,6R)-3-Acetamido-4,5-Dihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl] [Hydroxy-[(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34Z,38Z)-3,7,11,15,19,23,27,31,35,39,43-Undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-Undecaenoxy]Phosphoryl] Hydrogen Phosphate
Properties
| Property | Value |
|---|---|
| Formula | C93H155N7O23P2S |
| IUPAC Name | [(2r,3r,4r,5s,6r)-4-[(1r)-2-[[(1s)-2-[2-[2-[2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-methyl-2-oxo-ethyl]amino]-1-methyl-2-oxo-ethoxy]-3-acetamido-5-[(2s,3r,4r,5r,6r)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-6-(hydroxymethyl)tetrahydropyran-2-yl] [hydroxy-[(2z,6z,10z,14z,18z,22z,26z,30z,34z,38z)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy]phosphoryl] hydrogen phosphate |
| Molecular Mass | 1833.271 g·mol−1 |
| Heat of Formation | -5253.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.44 ± 1.08 D |
| Volume | 2375.98 Å 3 |
| Surface Area | 1771.61 Å 2 |
| HOMO Energy | -8.98 ± 0.55 eV |
| LUMO Energy | -1.32 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WLFSVWBINOGDFX-RZMIRBNUSA-N |
| QR Code | Generate QR Code |
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| Elements | C H O N P S |