(2R)-3-[[(2R,3R,4R,5S,6S)-3-[(2S,3R,4R,5S,6R)-3-Acetamido-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-Hydroxy-6-Methyl-5-[(2R,3R,4S,5R,6S)-3,4,5-Trihydroxy-6-[(2-Hydroxy-5-Oxo-Cyclopenta-1,3-Dien-1-Yl)Carbamoyl]Tetrahydropyran-2-Yl]Oxy-Tetrahydropyran-2-Yl]Oxy-4-Hydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Oxymethyl]Tetrahydropyran-2-Yl]Oxy-6-Carbamoyl-4-Carbamoyloxy-5-Hydroxy-5-Methyl-Tetrahydropyran-2-Yl]Oxy-Hydroxy-Phosphoryl]Oxy-2-[(2Z,6E,13Z)-3,8,8,14,18-Pentamethyl-11-Methylene-Nonadeca-2,6,13,17-Tetraenoxy]Propanoic Acid
Properties
| Property | Value |
|---|---|
| Formula | C69H106N5O34P |
| IUPAC Name | (2r)-3-[[(2r,3r,4r,5s,6s)-3-[(2s,3r,4r,5s,6r)-3-acetamido-5-[(2s,3r,4r,5s,6r)-3-acetamido-4-hydroxy-6-methyl-5-[(2r,3r,4s,5r,6s)-3,4,5-trihydroxy-6-[(2-hydroxy-5-oxo-cyclopenta-1,3-dien-1-yl)carbamoyl]tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4-hydroxy-6-[[(2r,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-6-carbamoyl-4-carbamoyloxy-5-hydroxy-5-methyl-tetrahydropyran-2-yl]oxy-hydroxy-phosphoryl]oxy-2-[(2z,6e,13z)-3,8,8,14,18-pentamethyl-11-methylene-nonadeca-2,6,13,17-tetraenoxy]propanoic acid |
| Molecular Mass | 1580.567 g·mol−1 |
| Heat of Formation | -6297.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.21 ± 1.08 D |
| Volume | 1855.13 Å 3 |
| Surface Area | 1385.38 Å 2 |
| HOMO Energy | -8.79 ± 0.55 eV |
| LUMO Energy | -1.19 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NXPRJQIAIORCGO-LRVVLTLFSA-N |
| QR Code | Generate QR Code |
| Links | |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | P C H O N |