Found 2 results

Search term: PUBXIIADYBXHSN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Fumonisin P1 | C39H62NO16

Fumonisin P1

  • Molecular FormulaC39H62NO16
  • Average mass800.906 Da
  • Monoisotopic mass800.406311 Da
  • ChemSpider ID103882653

  • Charge - Charge

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

1-[(2S,3S,5R,10R,12S,14S,15R,16R)-14-{[(3R)-3,4-Dicarboxybutanoyl]oxy}-15-{[(3S)-3,4-dicarboxybutanoyl]oxy}-3,5,10-trihydroxy-12,16-dimethyl-2-icosanyl]-3-hydroxypyridinium [German] [ACD/IUPAC Name]
1-[(2S,3S,5R,10R,12S,14S,15R,16R)-14-{[(3R)-3,4-Dicarboxybutanoyl]oxy}-15-{[(3S)-3,4-dicarboxybutanoyl]oxy}-3,5,10-trihydroxy-12,16-dimethyl-2-icosanyl]-3-hydroxypyridinium [ACD/IUPAC Name]
1-[(2S,3S,5R,10R,12S,14S,15R,16R)-14-{[(3R)-3,4-Dicarboxybutanoyl]oxy}-15-{[(3S)-3,4-dicarboxybutanoyl]oxy}-3,5,10-trihydroxy-12,16-diméthyl-2-icosanyl]-3-hydroxypyridinium [French] [ACD/IUPAC Name]
182063-58-7 [RN]
Fumonisin P1
Pyridinium, 1-[(1S,2S,4R,9R,11S,13S,14R,15R)-13-[(3R)-3,4-dicarboxy-1-oxobutoxy]-14-[(3S)-3,4-dicarboxy-1-oxobutoxy]-2,4,9-trihydroxy-1,11,15-trimethylnonadecyl]-3-hydroxy- [ACD/Index Name]

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