4-{[(8Xi,9Xi,14Xi,17β)-3-Hydroxyestra-1,3,5(10)-Trien-17-Yl]Amino}Butanoic Acid
Properties
Property | Value |
---|---|
Formula | C22H31NO3 |
IUPAC Name | 4-[[(8s,9s,13s,14r,17s)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]amino]butanoic acid |
Molecular Mass | 357.486 g·mol−1 |
Heat of Formation | -638.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.60 ± 1.08 D |
Volume | 452.16 Å 3 |
Surface Area | 371.79 Å 2 |
HOMO Energy | -8.77 ± 0.55 eV |
LUMO Energy | 0.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | XVHWIBHQOHTZNS-JRHPMUGDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |