ChemSpider 2D Image | 2,2',2'',2'''-{[(3E,20E)-17-Hydroxypregn-4-ene-3,20-diylidene]bis[(E)azanylylideneoxy-3,1-propanediylnitrilo]}tetraacetic acid | C35H54N4O11

2,2',2'',2'''-{[(3E,20E)-17-Hydroxypregn-4-ene-3,20-diylidene]bis[(E)azanylylideneoxy-3,1-propanediylnitrilo]}tetraacetic acid

  • Molecular FormulaC35H54N4O11
  • Average mass706.823 Da
  • Monoisotopic mass706.378906 Da
  • ChemSpider ID8637883
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres


More details:






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

2,2',2'',2'''-{[(3E,20E)-17-Hydroxypregn-4-en-3,20-diyliden]bis[(E)azanylylidenoxy-3,1-propandiylnitrilo]}tetraessigsäure [German] [ACD/IUPAC Name]
2,2',2'',2'''-{[(3E,20E)-17-Hydroxypregn-4-ene-3,20-diylidene]bis[(E)azanylylideneoxy-3,1-propanediylnitrilo]}tetraacetic acid [ACD/IUPAC Name]
Acide 2,2',2'',2'''-{[(3E,20E)-17-hydroxyprégn-4-ène-3,20-diylidène]bis[(E)azanylylidèneoxy-3,1-propanediylnitrilo]}tetraacétique [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 894.6±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 147.7±6.0 kJ/mol
Flash Point: 494.9±37.1 °C
Index of Refraction: 1.615
Molar Refractivity: 179.2±0.5 cm3
#H bond acceptors: 15
#H bond donors: 5
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 3
ACD/LogP: 3.77
ACD/LogD (pH 5.5): -1.72
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.73
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 219 Å2
Polarizability: 71.0±0.5 10-24cm3
Surface Tension: 56.2±7.0 dyne/cm
Molar Volume: 513.4±7.0 cm3

Click to predict properties on the Chemicalize site






Advertisement