3-{[(3α,5Beta,7α,8Xi,9Xi,14Xi)-3,7-Dihydroxy-24-Oxocholan-24-Yl]Amino}-2-Fluoropropanoic Acid
Properties
Property | Value |
---|---|
Formula | C27H44FNO5 |
IUPAC Name | 3-[4-(3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl)pentanoylamino]-2-fluoro-propanoic acid |
Molecular Mass | 481.640 g·mol−1 |
Heat of Formation | -1359.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.61 ± 1.08 D |
Volume | 599.07 Å 3 |
Surface Area | 449.2 Å 2 |
HOMO Energy | -10.06 ± 0.55 eV |
LUMO Energy | 0.60 ± eV |
Point Group Symmetry | C1 |
InChIKey | BILAUYJFCBEEOJ-KUPHJHCNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C F O N |