3-{[(3α,5Beta,7α,8Xi,9Xi,14Xi)-3,7-Dihydroxy-24-Oxocholan-24-Yl]Amino}-2-Fluoropropanoic Acid

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Formula C27H15FNO5
IUPAC Name 3-{[(3alpha,5beta,7alpha,8xi,9xi,14xi)-3,7-dihydroxy-24-oxocholan-24-yl]amino}-2-fluoropropanoic acid
Molecular Mass 452.410 g·mol−1
Heat of Formation 2273.3 ± 16.7 kJ·mol−1
Dipole Moment 8.34 ± 1.08 D
Volume 475.54 Å 3
Surface Area 403.11 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -2.54 ± eV
Point Group Symmetry C1
InChIKey BILAUYJFCBEEOJ-KPGWPAFQSA-N
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