Aloin A

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Properties Simple | Detailed

Formula C21H22O9
IUPAC Name (10s)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2s,3r,4r,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]-10h-anthracen-9-one
Molecular Mass 418.394 g·mol−1
Heat of Formation -1478.4 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 456.0 Å 3
Surface Area 366.0 Å 2
HOMO Energy -9.57 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 10-.beta.-d-glucopyranosyl-1,8-dihydroxy-3-(hydroxymethyl)-9(10h)-anthracenone-, 10(s)-
InChIKey AFHJQYHRLPMKHU-OSYMLPPYSA-N
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Elements H C O