ChemSpider 2D Image | 1-{14,15-Bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethyl-2-icosanyl}-3-hydroxypyridinium | C39H62NO16

1-{14,15-Bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethyl-2-icosanyl}-3-hydroxypyridinium

  • Molecular FormulaC39H62NO16
  • Average mass800.906 Da
  • Monoisotopic mass800.406311 Da
  • ChemSpider ID8780810
  • Charge - Charge


More details:






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

1-{14,15-Bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethyl-2-icosanyl}-3-hydroxypyridinium [ACD/IUPAC Name]
1-{14,15-Bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethyl-2-icosanyl}-3-hydroxypyridinium [German] [ACD/IUPAC Name]
1-{14,15-Bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-diméthyl-2-icosanyl}-3-hydroxypyridinium [French] [ACD/IUPAC Name]
Pyridinium, 1-[13,14-bis(3,4-dicarboxy-1-oxobutoxy)-2,4,9-trihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxy- [ACD/Index Name]
1-{14,15-bis[(3,4-dicarboxybutanoyl)oxy]-3,5,10-trihydroxy-12,16-dimethylicosan-2-yl}-3-hydroxypyridin-1-ium
Fumonisin FP1

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: 17
#H bond donors: 8
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: -2.23
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 287 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site






Advertisement