ChemSpider 2D Image | 3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-4-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-5-[[(5Z)-4-methyl-5-[(3-methyl-2-oxo-4-vinyl-1,3-dihydropyrrol-5-yl)methylene]-3-vinyl-pyrrol-2-yl]methylene]pyrrol-3-yl]propanoic acid | C33H34N4O6

3-[(2Z,5Z)-2-[[3-(2-carboxyethyl)-4-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-5-[[(5Z)-4-methyl-5-[(3-methyl-2-oxo-4-vinyl-1,3-dihydropyrrol-5-yl)methylene]-3-vinyl-pyrrol-2-yl]methylene]pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID64808461

  • Double-bond stereo - Double-bond stereo

More details:

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

biliverdin δ
biliverdin-IX-δ
  • Miscellaneous

    • Chemical Class:

      A linear tetrapyrrole obtained by the enzymic degradation of heme by <ital>Pseudomonas aeruginosa</ital> heme oxygenase. ChEBI CHEBI:137299
      A linear tetrapyrrole obtained by the enzymic degradation of heme by Pseudomonas aeruginosa heme oxygenase. ChEBI CHEBI:137299

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

Density: 1.3±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 1.45
ACD/LogD (pH 5.5): -1.13
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 158 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


Advertisement