Found 1 result

Search term: LHMBJXKVNLAJJD-QFAUSYGLSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl) tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diyl-3,1-propanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) | C44H68N12O24

(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl) tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diyl-3,1-propanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name)

  • Molecular FormulaC44H68N12O24
  • Average mass1149.077 Da
  • Monoisotopic mass1148.446899 Da
  • ChemSpider ID59051835

  • defined stereocentres - 25 of 25 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazol-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl)t etrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazol-1,4-diyl-3,1-propandiyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) [German] [ACD/IUPAC Name]
(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxymethyl) tetrahydro-2H-pyran-2,5-diyl]-1H-1,2,3-triazole-1,4-diyl-3,1-propanediyloxy})bis[6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol] (non-preferred name) [ACD/IUPAC Name]
(2R,3R,4S,5R,6R,2'R,3'R,4'S,5'R,6'R)-2,2'-([(2R,3R,4S,5S,6S)-3,4-Dihydroxy-6-(hydroxyméthyl)tétrahydro-2H-pyrane-2,5-diyl]bis{1H-1,2,3-triazole-1,4-diyl[(2S,3R,4S,5S,6S)-3,4-dihydroxy-6-(hydroxyméthyl )tétrahydro-2H-pyrane-2,5-diyl]-1H-1,2,3-triazole-1,4-diyl-3,1-propanediyloxy})bis[6-(hydroxyméthyl)tétrahydro-2H-pyrane-3,4,5-triol] (non-preferred name) [French] [ACD/IUPAC Name]
(2r,3r,4s,5r,6r,2'r,3'r,4's,5'r,6'r)-2,2'-([(2r,3r,4s,5s,6s)-3,4-Dihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2,5-Diyl]bis{1h-1,2,3-Triazole-1,4-Diyl[(2s,3r,4s,5s,6s)-3,4-Dihydroxy-6-(Hydroxymethyl)tetrahydro-2h-Pyran-2,5-Diyl]-1h-1,2,3-Triazole-1,4-Diylpropane-3,1-Diyloxy})bis[6-(Hydroxymethyl)tetrahydro-2h-Pyran-3,4,5-Triol]
4J0

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.1±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.835
Molar Refractivity: 246.9±0.5 cm3
#H bond acceptors: 36
#H bond donors: 17
#Freely Rotating Bonds: 21
#Rule of 5 Violations: 3
ACD/LogP: -8.68
ACD/LogD (pH 5.5): -8.67
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -8.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 531 Å2
Polarizability: 97.9±0.5 10-24cm3
Surface Tension: 103.3±7.0 dyne/cm
Molar Volume: 559.9±7.0 cm3

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