ChemSpider 2D Image | quinolinium, 3-[[(1E,2S)-2-[[(1E,2R)-2-[[(1E,2S,3S)-2-[[(1E,3R)-5-[(4S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-oxazolyl]-1,3,5-trihydroxypentylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1,2,3,4-tetrahydro-6,7-dihydroxy-1,1-dimethyl-, (3R)- | C35H49N6O13

quinolinium, 3-[[(1E,2S)-2-[[(1E,2R)-2-[[(1E,2S,3S)-2-[[(1E,3R)-5-[(4S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-oxazolyl]-1,3,5-trihydroxypentylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1,2,3,4-tetrahydro-6,7-dihydroxy-1,1-dimethyl-, (3R)-

  • Molecular FormulaC35H49N6O13
  • Average mass761.795 Da
  • Monoisotopic mass761.335205 Da
  • ChemSpider ID21431232

  • Charge - Charge

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

quinolinium, 3-[[(1E,2S)-2-[[(1E,2R)-2-[[(1E,2S,3S)-2-[[(1E,3R)-5-[(4S)-4,5-dihydro-2-(2-hydroxyphenyl)-4-oxazolyl]-1,3,5-trihydroxypentylidene]amino]-1,3-dihydroxybutylidene]amino]-1,3-dihydroxypropylidene]amino]-1,3-dihydroxypropylidene]amino]-1,2,3,4-tetrahydro-6,7-dihydroxy-1,1-dimethyl-, (3R)-

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

Density:
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 19
#H bond donors: 12
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 3
ACD/LogP: -2.88
ACD/LogD (pH 5.5): -4.18
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.90
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 314 Å2
Polarizability:
Surface Tension:
Molar Volume:

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