ChemSpider 2D Image | bilirubin | C33H36N4O6

bilirubin

  • Molecular FormulaC33H36N4O6
  • Average mass584.662 Da
  • Monoisotopic mass584.263489 Da
  • ChemSpider ID4444055
  • Double-bond stereo - Double-bond stereo


More details:






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

(4Z,15Z)-Bilirubin IXa
(Z,Z)-Bilirubin
(Z,Z)-Bilirubin IXa
1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-Biline-8,12-dipropionic acid
1,3,6,7-Tetramethyl-4,5-dicarboxyethyl-2,8-divinyl-(b-13)-dihydrobilenone
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
3-{2-({3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-yliden)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-yliden)methyl]-1H-pyrrol-3-yl}propansäure [German]
3-{2-({3-(2-Carboxyethyl)-4-methyl-5-[(Z)-(3-methyl-5-oxo-4-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-2-yl}methyl)-4-methyl-5-[(Z)-(4-methyl-5-oxo-3-vinyl-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid
635-65-4 [RN]
Acide 3-{2-({3-(2-carboxyéthyl)-5-[(Z)-(3-éthènyl-4-méthyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidène)méthyl]-4-méthyl-1H-pyrrol-2-yl}méthyl)-5-[(Z)-(4-éthènyl-3-méthyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidène)méthyl]-4-méthyl-1H-pyrrol-3-yl}propanoïque [French]
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

14370_FLUKA [DBID]
AI3-23078 [DBID]
B4126_SIGMA [DBID]
BRN 0074376 [DBID]
C00486 [DBID]
CHEBI:16990 [DBID]
NSC 26685 [DBID]
SDCCGMLS-0066651.P001 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 867.0±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 132.0±3.0 kJ/mol
Flash Point: 478.1±37.1 °C
Index of Refraction: 1.640
Molar Refractivity: 160.7±0.5 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 3.15
ACD/LogD (pH 5.5): -0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.62
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 171 Å2
Polarizability: 63.7±0.5 10-24cm3
Surface Tension: 48.5±7.0 dyne/cm
Molar Volume: 446.0±7.0 cm3

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