Mudanoside B

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Properties Simple | Detailed

Formula C18H24O14
IUPAC Name 3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-benzoic acid
Molecular Mass 464.375 g·mol−1
Heat of Formation -2398.0 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 495.73 Å 3
Surface Area 406.01 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxy-oxan-2-yl]oxy-4,5-dihydroxy-benzoic acid
  • 3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-4,5-dihydroxybenzoic acid
  • 3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-benzoic acid
  • 3-[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-methylol-tetrahydrofuran-2-yl]oxymethyl]-3,4,5-trihydroxy-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-benzoic acid
  • 3-[[(2s,3r,4s,5s,6r)-6-[[(2r,3r,4r)-3,4-dihydroxy-4-(hydroxymethyl)-2-tetrahydrofuranyl]oxymethyl]-3,4,5-trihydroxy-2-tetrahydropyranyl]oxy]-4,5-dihydroxybenzoic acid
InChIKey XCJSGXFVYBFHAN-MMMFZHIVSA-N
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