ChemSpider 2D Image | 2,2'-{(19-Amino-11,17,18-trihydroxy-5,9-dimethyl-6,7-icosanediyl)bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid | C34H59NO15

2,2'-{(19-Amino-11,17,18-trihydroxy-5,9-dimethyl-6,7-icosanediyl)bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid

  • Molecular FormulaC34H59NO15
  • Average mass721.830 Da
  • Monoisotopic mass721.388489 Da
  • ChemSpider ID35013474

More details:






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

1,2,3-Propanetricarboxylic acid, 3,3'-[1-(12-amino-4,10,11-trihydroxy-2-methyltridecyl)-2-(1-methylpentyl)-1,2-ethanediyl] ester [ACD/Index Name]
2,2'-{(19-Amino-11,17,18-trihydroxy-5,9-dimethyl-6,7-icosandiyl)bis[oxy(2-oxo-2,1-ethandiyl)]}dibernsteinsäure [German] [ACD/IUPAC Name]
2,2'-{(19-Amino-11,17,18-trihydroxy-5,9-dimethyl-6,7-icosanediyl)bis[oxy(2-oxo-2,1-ethanediyl)]}disuccinic acid [ACD/IUPAC Name]
Acide 2,2'-{(19-amino-11,17,18-trihydroxy-5,9-diméthyl-6,7-icosanediyl)bis[oxy(2-oxo-2,1-éthanediyl)]}disuccinique [French] [ACD/IUPAC Name]
2-[2-({19-amino-6-[(3,4-dicarboxybutanoyl)oxy]-11,17,18-trihydroxy-5,9-dimethylicosan-7-yl}oxy)-2-oxoethyl]butanedioic acid
Isofumonisin B1

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 922.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 152.2±6.0 kJ/mol
Flash Point: 511.4±34.3 °C
Index of Refraction: 1.528
Molar Refractivity: 177.1±0.3 cm3
#H bond acceptors: 16
#H bond donors: 9
#Freely Rotating Bonds: 31
#Rule of 5 Violations: 3
ACD/LogP: 2.27
ACD/LogD (pH 5.5): -2.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.95
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 289 Å2
Polarizability: 70.2±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 575.2±3.0 cm3

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