Dimethyl (2Z)-2-[(3S,4R)-5,6,7-Trihydroxy-3-(Methoxycarbonyl)-1-Oxo-3,4-Dihydro-1H-Isochromen-4-Yl]-2-Butenedioate
Properties
Property | Value |
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Formula | C17H16O11 |
IUPAC Name | dimethyl (z)-2-[(3s,4r)-5,6,7-trihydroxy-3-methoxycarbonyl-1-oxo-isochroman-4-yl]but-2-enedioate |
Molecular Mass | 396.302 g·mol−1 |
Heat of Formation | -1732.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.69 ± 1.08 D |
Volume | 419.09 Å 3 |
Surface Area | 354.15 Å 2 |
HOMO Energy | -9.54 ± 0.55 eV |
LUMO Energy | 1.95 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | OEUIKZZDJWSHAW-JWMYWAIISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |