2-{Nitroso[(3α,5Beta,7α,8Xi,9Xi,12α,14Xi)-3,7,12-Trihydroxy-24-Oxocholan-24-Yl]Amino}Ethanesulfonic Acid
Properties
Property | Value |
---|---|
Formula | C26H44N2O8S |
IUPAC Name | (4r)-n-nitroso-n-(2-sulfoethyl)-4-[(3r,5s,7r,8s,9r,10s,12s,13r,14r,17r)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1h-cyclopenta[a]phenanthren-17-yl]pentanamide |
Molecular Mass | 544.701 g·mol−1 |
Heat of Formation | 2342.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.06 ± 1.08 D |
Volume | 521.68 Å 3 |
Surface Area | 436.27 Å 2 |
HOMO Energy | -9.30 ± 0.55 eV |
LUMO Energy | -2.93 ± eV |
Point Group Symmetry | C1 |
InChIKey | RGGOJLKORFRSHP-ZSJLBNHVSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | S C O N |