ChemSpider 2D Image | methyl 3-[2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoate | C35H40N4O6

methyl 3-[2-[[3-(3-methoxy-3-oxo-propyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl]methyl]-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl]propanoate

  • Molecular FormulaC35H40N4O6
  • Average mass612.715 Da
  • Monoisotopic mass612.294800 Da
  • ChemSpider ID4758230

  • Double-bond stereo - Double-bond stereo

More details:

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

19792-68-8 [RN]
19793-01-2 [RN]
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-, dimethyl ester
21H-Biline-8,12-dipropanoicacid,2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-,8,12-dimethyl ester
69712-27-2 [RN]
Bilirubin dimethyl diester
bilirubin dimethyl ester
Dimethyl bilirubin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 850.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 123.6±3.0 kJ/mol
Flash Point: 468.3±34.3 °C
Index of Refraction: 1.671
Molar Refractivity: 178.1±0.3 cm3
#H bond acceptors: 10
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.38
ACD/LogD (pH 5.5): 3.61
ACD/BCF (pH 5.5): 328.03
ACD/KOC (pH 5.5): 2199.96
ACD/LogD (pH 7.4): 3.61
ACD/BCF (pH 7.4): 328.24
ACD/KOC (pH 7.4): 2201.35
Polar Surface Area: 142 Å2
Polarizability: 70.6±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 476.1±3.0 cm3

Click to predict properties on the Chemicalize site


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