4-[(5R,5Ar,8Ar,9S)-9-({4,6-O-[(1R)-Ethylidene]-β-D-Glucopyranosyl}Oxy)-6-Oxo-5,5A,6,8,8A,9-Hexahydrofuro[3',4':6,7]Naphtho[2,3-D][1,3]Dioxol-5-Yl]-2,6-Dimethoxyphenyl Dihydrogen Phosphate

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Properties Simple | Detailed

Formula C29H33O16P
IUPAC Name [4-[(5s,5ar,8ar,9r)-5-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-8-oxo-5a,6,8a,9-tetrahydro-5h-isobenzofuro[5,6-f][1,3]benzodioxol-9-yl]-2,6-dimethoxy-phenyl] dihydrogen phosphate
Molecular Mass 668.536 g·mol−1
Heat of Formation -2802.3 ± 16.7 kJ·mol−1
Dipole Moment 5.35 ± 1.08 D
Volume 703.31 Å 3
Surface Area 551.22 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • [4-[(5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-6-keto-5a,8,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenyl] dihydrogen phosphate
  • [4-[(5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-6-oxo-5a,8,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxy-phenyl] dihydrogen phosphate
  • [4-[(5r,5ar,8ar,9s)-9-[[(2r,4ar,6r,7r,8r,8as)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[5,6-d][1,3]dioxin-6-yl]oxy]-6-oxo-5a,8,8a,9-tetrahydro-5h-isobenzofurano[5,6-f][1,3]benzodioxol-5-yl]-2,6-dimethoxyphenyl] dihydrogen phosphate
  • d04107
  • etopophos preservative free
  • etoposide phosphate (usan)
InChIKey LIQODXNTTZAGID-OCBXBXKTSA-N
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