(15S,16S,18S)-16-Hydroxy-15-Methyl-16-[(Propylamino)Methyl]-28-Oxa-4,14,19-Triazaoctacyclo[12.11.2.1~15,18~.0~2,6~.0~7,27~.0~8,13~.0~19,26~.0~20,25~]Octacosa-1,6,8,10,12,20,22,24,26-Nonaen-3-One
Properties
| Property | Value |
|---|---|
| Formula | C29H28N4O3 |
| IUPAC Name | (15s,16s,18s)-16-hydroxy-15-methyl-16-[(propylamino)methyl]-28-oxa-4,14,19-triazaoctacyclo[12.11.2.1 15,18 .0 2,6 .0 7,27 .0 8,13 .0 19,26 .0 20,25 ]octacosa-1,6,8,10,12,20,22,24,26-nonaen-3-one |
| Molecular Mass | 480.558 g·mol−1 |
| Heat of Formation | -170.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.87 ± 1.08 D |
| Volume | 543.65 Å 3 |
| Surface Area | 443.21 Å 2 |
| HOMO Energy | -7.93 ± 0.55 eV |
| LUMO Energy | 2.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UAQXZUMECPBOGP-SPTGULJVSA-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 |