(5S,8S,11S)-1-Cyclohexyl-11-[(1S)-1-Hydroxyethyl]-5-Isopropyl-8-Methyl-2-Oxa-4,7,10-Triazatridecane-3,6,9,13,13-Pentol
Properties
Property | Value |
---|---|
Formula | C21H45N3O7 |
IUPAC Name | (3s,4s)-3-[[(1s,2s)-2-[[(1s,2s)-2-[[(s)-cyclohexylmethoxy(hydroxy)methyl]amino]-1-hydroxy-3-methyl-butyl]amino]-1-hydroxy-propyl]amino]pentane-1,1,4-triol |
Molecular Mass | 451.598 g·mol−1 |
Heat of Formation | -1696.4 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.21 ± 1.08 D |
Volume | 579.58 Å 3 |
Surface Area | 443.87 Å 2 |
HOMO Energy | -9.20 ± 0.55 eV |
LUMO Energy | 1.66 ± eV |
Point Group Symmetry | C1 |
InChIKey | BUMYZNBKAXTDQY-UGMCXUOWSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |