(1S,2S,13R,21R)-11-Benzyl-22-(Cyclopropylmethyl)-14-Oxa-11,22-Diazaheptacyclo[13.9.1.0~1,13~.0~2,21~.0~4,12~.0~5,10~.0~19,25~]Pentacosa-4(12),5,7,9,15(25),16,18-Heptaene-2,16-Diol
Properties
| Property | Value |
|---|---|
| Formula | C33H32N2O3 |
| IUPAC Name | (1s,2s,13r,21r)-11-benzyl-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0 1,13 .0 2,21 .0 4,12 .0 5,10 .0 19,25 ]pentacosa-4(12),5,7,9,15(25),16,18-heptaene-2,16-diol |
| Molecular Mass | 504.619 g·mol−1 |
| Heat of Formation | -59.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.27 ± 1.08 D |
| Volume | 594.69 Å 3 |
| Surface Area | 450.8 Å 2 |
| HOMO Energy | -8.12 ± 0.55 eV |
| LUMO Energy | 3.01 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PSPANKCQVWSVHM-OUDZLNJNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |