(16β,17Alpha,20Alpha)-N-[4-Azido-3-(~125~I)Iodophenyl]-17-Hydroxyyohimban-16-Carboxamide
Properties
Property | Value |
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Formula | C26H27IN6O2 |
IUPAC Name | (1s,13r,15s,18s,19s,20s)-18-hydroxy-n-[(e)-3-iodo-1-methyl-allyl]-11,12,14,15,16,17,18,19,20,21-decahydro-1h-yohimban-3-ium-19-carboxamide; triazane |
Molecular Mass | 580.436 g·mol−1 |
Heat of Formation | 260.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.89 ± 1.08 D |
Volume | 575.29 Å 3 |
Surface Area | 480.19 Å 2 |
HOMO Energy | -8.34 ± 0.55 eV |
LUMO Energy | -1.04 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | OIJUJHQUYGBPNM-NCNAYSDWSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | I H C O N |