23,25,26-Trihydroxycholecalciferol
Properties
Property | Value |
---|---|
Formula | C27H44O4 |
IUPAC Name | (2r,4r,6r)-6-[(1r,3as,4e,7ar)-4-[(2z)-2-[(5r)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-1-yl]-2-methyl-heptane-1,2,4-triol |
Molecular Mass | 432.636 g·mol−1 |
Heat of Formation | -935.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.18 ± 1.08 D |
Volume | 568.55 Å 3 |
Surface Area | 463.9 Å 2 |
HOMO Energy | -8.60 ± 0.55 eV |
LUMO Energy | 0.19 ± eV |
Point Group Symmetry | C1 |
InChIKey | GDIBDBUYVICGLY-VJAAKZQASA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |