ChemSpider 2D Image | 3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(5-hydroxy-3-methyl-4-vinyl-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(5-hydroxy-4-methyl-3-vinyl-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | C33H36N4O6

3-[2-[[3-(2-carboxyethyl)-5-[(Z)-(5-hydroxy-3-methyl-4-vinyl-pyrrol-2-ylidene)methyl]-4-methyl-2H-pyrrol-2-yl]methyl]-5-[(Z)-(5-hydroxy-4-methyl-3-vinyl-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID4593714

  • Double-bond stereo - Double-bond stereo

More details:

Featured data source
The Merck Index Online

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

(4Z,15Z)-Bilirubin IXalpha
(Z,Z)-Bilirubin
(Z,Z)-Bilirubin IXalpha
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-
bilirubin [Wiki]
Bilirubin IX α
Bilirubin IX-α
Bilirubin, (15E)-Isomer
Bilirubin, (4E)-Isomer
More...

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 881.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 134.2±3.0 kJ/mol
Flash Point: 486.9±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 1.99
ACD/LogD (pH 5.5): -0.04
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.01
ACD/LogD (pH 7.4): -2.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 161 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

Click to predict properties on the Chemicalize site


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