ChemSpider 2D Image | 16-Acetoxy-3-{[8-({1-carboxy-4-[(diaminomethylene)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxybufa-20,22-dienolide | C40H60N4O10

16-Acetoxy-3-{[8-({1-carboxy-4-[(diaminomethylene)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxybufa-20,22-dienolide

  • Molecular FormulaC40H60N4O10
  • Average mass756.925 Da
  • Monoisotopic mass756.430969 Da
  • ChemSpider ID8007731

More details:






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

16-Acetoxy-3-{[8-({1-carboxy-4-[(diaminomethylen)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxybufa-20,22-dienolid [German] [ACD/IUPAC Name]
16-Acetoxy-3-{[8-({1-carboxy-4-[(diaminomethylene)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxybufa-20,22-dienolide [ACD/IUPAC Name]
16-Acétoxy-3-{[8-({1-carboxy-4-[(diaminométhylène)amino]butyl}amino)-8-oxooctanoyl]oxy}-14-hydroxybufa-20,22-diénolide [French] [ACD/IUPAC Name]
Bufa-20,22-dienolide, 16-(acetyloxy)-3-[[8-[[1-carboxy-4-[(diaminomethylene)amino]butyl]amino]-1,8-dioxooctyl]oxy]-14-hydroxy- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.630
Molar Refractivity: 195.3±0.5 cm3
#H bond acceptors: 14
#H bond donors: 7
#Freely Rotating Bonds: 18
#Rule of 5 Violations: 3
ACD/LogP: 3.13
ACD/LogD (pH 5.5): 0.70
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.34
ACD/LogD (pH 7.4): 0.66
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.96
Polar Surface Area: 230 Å2
Polarizability: 77.4±0.5 10-24cm3
Surface Tension: 55.4±7.0 dyne/cm
Molar Volume: 548.9±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement