ChemSpider 2D Image | methyl 3-[(5E)-5-[[5-[(E)-[(5Z)-5-[[4-(3-methoxy-3-oxo-propyl)-3-methyl-5-oxo-pyrrol-2-yl]methylene]-4-methyl-3-vinyl-pyrrol-2-ylidene]methyl]-4-methyl-3-vinyl-1H-pyrrol-2-yl]methylene]-4-methyl-2-oxo-pyrrol-3-yl]propanoate | C35H38N4O6

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

  • Molecular FormulaC35H38N4O6
  • Average mass610.699 Da
  • Monoisotopic mass610.279114 Da
  • ChemSpider ID4947703

  • Double-bond stereo - Double-bond stereo

More details:

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

21494-89-3 [RN]
58416-08-3 [RN]
8,13-Diethenyl-1,19,22,24-tetrahydro-3,7,12,17-tetramethyl-1,19-dioxo-21H-biline-2,18-dipropanoic acid, dimethyl ester
Biliverdin IX γ dimethyl ester

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

Density: 1.2±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.606
Molar Refractivity: 170.6±0.5 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 3.44
ACD/BCF (pH 5.5): 240.48
ACD/KOC (pH 5.5): 1761.56
ACD/LogD (pH 7.4): 3.44
ACD/BCF (pH 7.4): 240.64
ACD/KOC (pH 7.4): 1762.75
Polar Surface Area: 139 Å2
Polarizability: 67.6±0.5 10-24cm3
Surface Tension: 42.9±7.0 dyne/cm
Molar Volume: 494.8±7.0 cm3

Click to predict properties on the Chemicalize site


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