Aristomanoside

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Properties Simple | Detailed

Formula C31H41NO15
IUPAC Name ammonia; (2r,3s,4s,5r,6s)-2-(hydroxymethyl)-6-[(z)-2-hydroxy-1-methyl-vinyloxy]tetrahydropyran-3,4,5-triol; hydrate
Molecular Mass 667.655 g·mol−1
Heat of Formation -2447.4 ± 16.7 kJ·mol−1
Dipole Moment 5.72 ± 1.08 D
Volume 774.9 Å 3
Surface Area 643.87 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.11 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]-n-[2-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-phenyl]ethyl]prop-2-enamide
  • (e)-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-n-[2-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethyl]prop-2-enamide
  • (e)-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]-n-[2-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]ethyl]prop-2-enamide
  • (e)-3-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]-n-[2-[3-methoxy-4-[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-phenyl]ethyl]acrylamide
  • (e)-3-[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]-n-[2-[3-methoxy-4-[[(2s,3r,4s,5s,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]phenyl]ethyl]prop-2-enamide
InChIKey OLETUPJEQJHKIN-XYMOGAPJSA-N
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