(3E)-5-(4-Chlorophenyl)-3-(Isopropylimino)-3,5-Dihydro-2-Phenazinyl β-D-Glucopyranosiduronic Acid

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Properties Simple | Detailed

Formula C27H27ClN3O7
IUPAC Name (2s,3s,4s,5r,6s)-6-[(3e)-5-(4-chlorophenyl)-3-isopropylimino-phenazin-10-ium-5a-id-2-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-carboxylic acid
Molecular Mass 540.972 g·mol−1
Heat of Formation -828.5 ± 16.7 kJ·mol−1
Dipole Moment 8.99 ± 1.08 D
Volume 599.53 Å 3
Surface Area 490.79 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -2.02 ± eV
Point Group Symmetry C1
InChIKey BFXFTNXMNRQSRU-NMOYDVRQSA-N
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Elements H C N O Cl