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

3-[5-[(E)-[(5E)-5-[[5-[(E)-[4-(2-carboxyethyl)-3-methyl-5-oxo-pyrrol-2-ylidene]methyl]-3-methyl-4-vinyl-1H-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-ylidene]methyl]-4-methyl-2-oxo-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H34N4O6
  • Average mass582.646 Da
  • Monoisotopic mass582.247864 Da
  • ChemSpider ID4952575

  • Double-bond stereo - Double-bond stereo

More details:

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

21H-Biline-2,18-dipropanoic acid, 7,13-diethenyl-1,19,22,24-tetrahydro-3,8,12,17-tetramethyl-1,19-dioxo-
biliverdin XIII γ

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: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 0.34
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.73
ACD/LogD (pH 7.4): -2.20
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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