(5Z)-7-{(1S,4R,5R,6R)-6-[(1E,3S)-3-Hydroxy-1-Octen-1-Yl]-2,3-Diazabicyclo[2.2.1]Hept-2-En-5-Yl}-5-Heptenoic Acid
Properties
Property | Value |
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Formula | C20H32N2O3 |
IUPAC Name | (z)-7-[(1r,4s,5r,6r)-5-[(e,3s)-3-hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid |
Molecular Mass | 348.480 g·mol−1 |
Heat of Formation | -447.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.93 ± 1.08 D |
Volume | 467.08 Å 3 |
Surface Area | 365.01 Å 2 |
HOMO Energy | -9.92 ± 0.55 eV |
LUMO Energy | 0.10 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | XBVVXCYNLAIXKD-WTKFZEAQSA-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 |