(1R,4S,5S,12R,15S,16S)-2,13-Dioxo-16-(2-Phenylacetoxy)-8-Oxa-22,23-Dithia-3,14-Diazahexacyclo[10.9.2.0~1,14~.0~3,12~.0~4,10~.0~15,20~]Tricosa-6,9,17,19-Tetraen-5-Yl (2R)-Hydroxy(Phenyl)Acetate
Properties
Property | Value |
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Formula | C34H28N2O8S2 |
IUPAC Name | (1r,4s,5s,12r,15s,16s)-2,13-dioxo-16-(2-phenylacetoxy)-8-oxa-22,23-dithia-3,14-diazahexacyclo[10.9.2.0 1,14 .0 3,12 .0 4,10 .0 15,20 ]tricosa-6,9,17,19-tetraen-5-yl (2r)-hydroxy(phenyl)acetate |
Molecular Mass | 656.725 g·mol−1 |
Heat of Formation | -814.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.85 ± 1.08 D |
Volume | 695.58 Å 3 |
Surface Area | 478.51 Å 2 |
HOMO Energy | -8.71 ± 0.55 eV |
LUMO Energy | -1.48 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | JJGPWGDUIHLXRM-TYQBLOPUSA-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 |