(4S)-4,11-Diethyl-4-Hydroxy-3,14-Dioxo-3,4,12,14-Tetrahydro-1H-Pyrano[3',4':6,7]Indolizino[1,2-B]Quinolin-9-Yl β-D-Glucopyranosiduronic Acid

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Formula C28H28N2O11
IUPAC Name (4s)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1h-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl β-d-glucopyranosiduronic acid
Molecular Mass 568.529 g·mol−1
Heat of Formation -1676.1 ± 16.7 kJ·mol−1
Dipole Moment 10.32 ± 1.08 D
Volume 617.95 Å 3
Surface Area 500.71 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -1.43 ± eV
Point Group Symmetry C1
Synonyms
  • sn38 glucuronide
InChIKey SSJQVDUAKDRWTA-CAYKMONMSA-N
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