ChemSpider 2D Image | 3-[2-[(Z)-[(5E)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methylene]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid | C33H38N4O6

3-[2-[(Z)-[(5E)-3-(2-carboxyethyl)-5-[(4-ethyl-3-methyl-5-oxo-pyrrol-2-yl)methylene]-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxo-pyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID4942832

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

16883-97-9 [RN]
18159-29-0 [RN]
21H-Biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-
3-(2-{[(2Z,5E)-3-(2-CARBOXYETHYL)-5-[(4-ETHYL-3-METHYL-5-OXOPYRROL-2-YL)METHYLIDENE]-4-METHYL-1H-PYRROL-2-YLIDENE]METHYL}-5-{[(2Z,3E,4R)-3-ETHYLIDENE-4-METHYL-5-OXOPYRROLIDIN-2-YLIDENE]METHYL}-4-METHYL-1H-PYRROL-3-YL)PROPANOIC ACID
32140-34-4 [RN]
86747-24-2 [RN]
Phycobilin [Wiki]
phycocyanobilin

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: 10
#Rule of 5 Violations: 3
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 1.58
ACD/BCF (pH 5.5): 3.70
ACD/KOC (pH 5.5): 29.63
ACD/LogD (pH 7.4): -1.38
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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