(2R,3S,4S,4As,10Br)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-9-Methoxy-3,4,4A,10B-Tetrahydropyrano[3,2-C]Isochromen-6(2H)-One

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Formula C14H16O9
IUPAC Name (2r,3s,4s,4as,10br)-3,4,8,10-tetrahydroxy-2-(hydroxymethyl)-9-methoxy-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
Molecular Mass 328.271 g·mol−1
Heat of Formation -1447.9 ± 16.7 kJ·mol−1
Dipole Moment 5.93 ± 1.08 D
Volume 341.9 Å 3
Surface Area 297.08 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy 2.94 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,4as,10br)-3,4,8,10-tetrahydroxy-9-methoxy-2-methylol-3,4,4a,10b-tetrahydro-2h-pyrano[3,2-c]isochromen-6-one
  • sdccgmls-0066671.p001
InChIKey YWJXCIXBAKGUKZ-BPTACTMOSA-N
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