(17β)-11-(1-Aziridinylmethyl)Estra-1,3,5(10)-Triene-3,17-Diol
Properties
Property | Value |
---|---|
Formula | C21H29NO2 |
IUPAC Name | (8s,9r,11r,13s,14s,17s)-11-(aziridin-1-ylmethyl)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
Molecular Mass | 327.460 g·mol−1 |
Heat of Formation | -257.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.40 ± 1.08 D |
Volume | 420.94 Å 3 |
Surface Area | 340.27 Å 2 |
HOMO Energy | -8.86 ± 0.55 eV |
LUMO Energy | 0.16 ± eV |
Point Group Symmetry | C1 |
InChIKey | HEEPORQSZTZTBT-NWSAAYAGSA-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 |