5-[(3S,5S,9R,10S,12R,13R,14R,17R)-12-(3-Carboxy-2-Methylpropyl)-3,8,12,14,17-Pentahydroxy-10,13-Dimethylhexadecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-5-Hydroxy-3-Methylhexanoic Acid (Non-Preferred Name)
Properties
Property | Value |
---|---|
Formula | C31H52O10 |
IUPAC Name | (3r,5s)-5-[(3s,5s,8r,9r,10s,12r,13r,14r,17r)-12-[(2s)-3-carboxy-2-methyl-propyl]-3,8,12,14,17-pentahydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,15,16-decahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-3-methyl-hexanoic acid |
Molecular Mass | 584.739 g·mol−1 |
Heat of Formation | -2254.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.43 ± 1.08 D |
Volume | 701.24 Å 3 |
Surface Area | 505.41 Å 2 |
HOMO Energy | -10.09 ± 0.55 eV |
LUMO Energy | 0.81 ± eV |
Point Group Symmetry | C1 |
InChIKey | OTZYYNTXVLTKKL-DLKBSWLXSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |