ChemSpider 2D Image | mesobilirubin | C33H40N4O6

mesobilirubin

  • Molecular FormulaC33H40N4O6
  • Average mass588.694 Da
  • Monoisotopic mass588.294800 Da
  • ChemSpider ID4758064

  • Double-bond stereo - Double-bond stereo

More details:

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

16568-56-2 [RN]
2,17-Diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic Acid
3-(2-{[3-(2-carboxyethyl)-5-{[(2Z)-3-ethyl-4-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-2-yl]methyl}-5-{[(2Z)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-ylidene]methyl}-4-methyl-1H-pyrrol-3-yl)propanoic acid
4-26-00-03261 [Beilstein]
mesobilirubin
Mesobilirubin IX?
Mesobilirubin IXa
2,17-diethyl-3,7,13,18-tetramethyl-1,19-dioxo-1,10,19,22,23,24-hexahydro-21H-biline-8,12-dipropanoic acid
21H-Biline-8,12-dipropanoicacid, 2,17-diethyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
3-(2-(3-(2-Carboxy-ethyl)-5-(4-ethyl-3-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-2-ylmethyl)-5-(3-ethyl-4-methyl-5-oxo-1,5-dihydro-pyrrol-2-ylidenemethyl)-4-methyl-1H-pyrrol-3-yl)-propionic acid
More...

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

AIDS154378 [DBID]
AIDS-154378 [DBID]
CHEBI:25208 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 900.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 137.2±3.0 kJ/mol
Flash Point: 498.7±34.3 °C
Index of Refraction: 1.641
Molar Refractivity: 165.5±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.57
ACD/LogD (pH 5.5): 1.57
ACD/BCF (pH 5.5): 3.29
ACD/KOC (pH 5.5): 24.06
ACD/LogD (pH 7.4): -1.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 164 Å2
Polarizability: 65.6±0.5 10-24cm3
Surface Tension: 59.0±3.0 dyne/cm
Molar Volume: 458.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement