(6S)-3-{[4-Amino-5-Methyl-2-(2-Methyl-2-Propanyl)Phenyl]Sulfanyl}-6-Cyclopentyl-4-Hydroxy-6-[2-(4-Hydroxyphenyl)Ethyl]-5,6-Dihydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C29H37NO4S
IUPAC Name (2s)-5-(4-amino-2-tert-butyl-5-methyl-phenyl)sulfanyl-2-cyclopentyl-4-hydroxy-2-[2-(4-hydroxyphenyl)ethyl]-3h-pyran-6-one
Molecular Mass 495.673 g·mol−1
Heat of Formation -700.9 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 610.22 Å 3
Surface Area 488.43 Å 2
HOMO Energy -7.99 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey ZEBFKFGJWHOOST-LJAQVGFWSA-N
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