(1S,9R,11S,12Z,14Z,19Z,22R)-9,11-Dihydroxy-22-Methyl-6,23-Dioxa-26-Thia-2,17,27-Triazatricyclo[17.5.2.1~4,7~]Heptacosa-4,7(27),12,14,19-Pentaene-3,18,24-Trione
Properties
Property | Value |
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Formula | C22H27N3O7S |
IUPAC Name | (1s,9r,11s,12z,14z,19z,22r)-9,11-dihydroxy-22-methyl-6,23-dioxa-26-thia-2,17,27-triazatricyclo[17.5.2.1 4,7 ]heptacosa-4,7(27),12,14,19-pentaene-3,18,24-trione |
Molecular Mass | 477.531 g·mol−1 |
Heat of Formation | -997.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.63 ± 1.08 D |
Volume | 547.97 Å 3 |
Surface Area | 423.96 Å 2 |
HOMO Energy | -8.80 ± 0.55 eV |
LUMO Energy | -0.62 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | UXWOXTQWVMFRSE-SXTNSRNPSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |