(1E,3R,4S,5R,9R,10R)-11-[(10S,16R,20R,21S,22R,24E)-16-Hydroxy-22-Methoxy-10,21-Dimethyl-12,18-Dioxo-3,7,19,27-Tetraoxa-29,30,31-Triazatetracyclo[24.2.1.1~2,5~.1~6,9~]Hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-Heptaen-20-Yl]-1-[(Hydroxymethyl)(Methyl)Amino]-10-Methoxy-3,5,9-Trimethyl-6-Oxo-1-Undecen-4-Yl Acetate
Properties
Property | Value |
---|---|
Formula | C46H66N4O13 |
IUPAC Name | (1e,3r,4s,5r,9r,10r)-11-[(10s,16r,20r,21s,22r,24e)-16-hydroxy-22-methoxy-10,21-dimethyl-12,18-dioxo-3,7,19,27-tetraoxa-29,30,31-triazatetracyclo[24.2.1.1 2,5 .1 6,9 ]hentriaconta-1(28),2(31),4,6(30),8,24,26(29)-heptaen-20-yl]-1-[(hydroxymethyl)(methyl)amino]-10-methoxy-3,5,9-trimethyl-6-oxo-1-undecen-4-yl acetate |
Molecular Mass | 883.035 g·mol−1 |
Heat of Formation | -2107.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.18 ± 1.08 D |
Volume | 1072.79 Å 3 |
Surface Area | 732.95 Å 2 |
HOMO Energy | -8.65 ± 0.55 eV |
LUMO Energy | -0.83 ± eV |
Point Group Symmetry | C1 |
InChIKey | DIOFXPZEAVIPDB-RTHWYCIMSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |