N-(3A,6B,7B-Trihydroxy-5B-Cholan-24-Oyl)-Taurine
Properties
Property | Value |
---|---|
Formula | C26H45NO7S |
IUPAC Name | 4-[(1z)-9,13-dimethylene-2,3,6-trioxo-14-bicyclo[8.7.0]heptadeca-1(10),15,16-trien-4,7,11-triynyl]-n-(2-sulfonatoethynyl)pent-4-en-2-ynamide |
Molecular Mass | 515.703 g·mol−1 |
Heat of Formation | -1608.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.66 ± 1.08 D |
Volume | 622.04 Å 3 |
Surface Area | 484.61 Å 2 |
HOMO Energy | -9.91 ± 0.55 eV |
LUMO Energy | 0.35 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | XSOLDPYUICCHJX-UZUDEGBHSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |