ChemSpider 2D Image | 3-(2-{(Z)-[3-(2-Carboxyethyl)-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-[(E)-(5-hydroxy-3-methyl-4-vinyl-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid | C25H27N3O6

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

  • Molecular FormulaC25H27N3O6
  • Average mass465.498 Da
  • Monoisotopic mass465.189972 Da
  • ChemSpider ID59696712

  • Double-bond stereo - Double-bond stereo

More details:

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

1H-Pyrrole-3-propanoic acid, 2-[(Z)-[3-(2-carboxyethyl)-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]methyl]-5-[(E)-(4-ethenyl-5-hydroxy-3-methyl-2H-pyrrol-2-ylidene)methyl]-4-methyl- [ACD/Index Name]
3-(2-{(Z)-[3-(2-Carboxyethyl)-5-hydroxy-4-methyl-2H-pyrrol-2-yliden]methyl}-5-[(E)-(5-hydroxy-3-methyl-4-vinyl-2H-pyrrol-2-yliden)methyl]-4-methyl-1H-pyrrol-3-yl)propansäure [German] [ACD/IUPAC Name]
3-(2-{(Z)-[3-(2-Carboxyethyl)-5-hydroxy-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-[(E)-(5-hydroxy-3-methyl-4-vinyl-2H-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl)propanoic acid [ACD/IUPAC Name]
Acide 3-(2-{(Z)-[3-(2-carboxyéthyl)-5-hydroxy-4-méthyl-2H-pyrrol-2-ylidène]méthyl}-5-[(E)-(5-hydroxy-3-méthyl-4-vinyl-2H-pyrrol-2-ylidène)méthyl]-4-méthyl-1H-pyrrol-3-yl)propanoïque [French] [ACD/IUPAC Name]
158598-18-6 [RN]
3-(2-{[3-(2-carboxyethyl)-5-{[(2E)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methylidene}-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-3-yl)propanoic acid
Biotripyrrin-b

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

Density: 1.4±0.1 g/cm3
Boiling Point: 807.1±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.0±3.0 kJ/mol
Flash Point: 441.9±37.1 °C
Index of Refraction: 1.640
Molar Refractivity: 123.7±0.5 cm3
#H bond acceptors: 9
#H bond donors: 5
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 2.09
ACD/LogD (pH 5.5): -1.86
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 51.2±7.0 dyne/cm
Molar Volume: 343.4±7.0 cm3

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