ChemSpider 2D Image | Mesobiliverdin IXa | C33H38N4O6

Mesobiliverdin IXa

  • Molecular FormulaC33H38N4O6
  • Average mass586.678 Da
  • Monoisotopic mass586.279114 Da
  • ChemSpider ID16736708

  • Double-bond stereo - Double-bond stereo

More details:

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

21H-Biline-8,12-dipropanoic acid, 3,18-diethyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-
29790-16-7 [RN]
3,18-Diethyl-1,19,22,24-tetrahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic Acid
4-26-00-03265 [Beilstein]
Mesobiliverdin IXa
3,18-diethyl-2,7,13,17-tetramethyl-1,19-dioxo-1,19,22,24-tetrahydro-21H-biline-8,12-dipropanoic acid
8,12-bis(2-carboxyethyl)-3,18-diethyl-2,7,13,17-tetramethylbilin-1,19(21H,24H)-dione
mesobiliverdin
Mesobiliverdin IX
mesobiliverdin IXalpha

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

3823061 [DBID]
3823061; 75100 [DBID]
75100 [DBID]
  • Miscellaneous

    • Chemical Class:

      A bilin that consists of 3,18-diethyl-2,7,13,17-tetramethyl-1,19,22,24-tetrahydro-21<element>H</element>-biline-8,12-dipropanoic acid bearing two oxo substituents at positions 1 and 19. ChEBI CHEBI:36748

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 889.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 135.4±3.0 kJ/mol
Flash Point: 491.5±34.3 °C
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 5
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 3
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 0.39
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.07
ACD/LogD (pH 7.4): -0.87
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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