Bilirubin (data page)

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The complete data for Bilirubin

Image:Hight_setter_449px.gifThe structure of bilirubin		 General information

Chemical formula: C33H36N4O6 
Molar mass: 584.662 g·mol-1
Systematic name:
3-[2-[(3-(2-carboxyethyl)-5-[(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-
4-methyl-1H-pyrrol-2-yl]methyl)-5-[(4-ethenyl-3-methyl-5-oxo-pyrrol-2-ylidene)
methyl]-4-methyl-1H-pyrrol-3-yl] propanoic acid
Synonyms:
Pheophytin
Database data
SMILES: CC1=C(NC(=C1CCC(=O)O)CC2=C(C(=C(N2)C=C3C(=C(C(=O)N3)C)C=C)C)CCC(=O)O)C=C 4C(=C(C(=O)N4)C=C)C
InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-
8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/f/h36-38,40H
 ATC: N/A  CAS: N/A  DrugBank: N/A  EINECS: N/A  PubChem: 250 [1]
Physical properties
Structure
 Crystal data
 Spectral data
UV-Vis
 IR
 NMR
 MS
Phase behavior
 Solid properties
Liquid properties
Gas properties
Hazard properties
MSDS N/A Main hazards:
- N/A
 NFPA 704
 Flash point
- N/A
 R/S statement
R: N/A
S: N/A
 RTECS number:
N/A
Chemical properties
XLogP: 1.9 pI: ? pKa: ? Tautomers: 25 Hydrogen bond: donor - 6;   acceptor - 8;
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)


[edit] References

  1. a  PubChem 250