(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

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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 -847.5 ± 16.7 kJ·mol−1
Dipole Moment 4.76 ± 1.08 D
Volume 599.45 Å 3
Surface Area 455.72 Å 2
HOMO Energy -8.13 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey TUUKUYGTFWSFPV-QVSYKHPZSA-O
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Elements H C N O Cl