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Phycocyanobilin

Phycocyanobilin structure

Phycocyanobilin 

structure
  • CAS No:

    20298-86-6

  • Formula:

    C33H38N4O6

  • Chemical Name:

    Phycocyanobilin

  • Synonyms:

    21H-Biline-8,12-dipropanoic acid,18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-,(2R,3E)-;Biline-8,12-dipropionic acid,18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-;Phycocyanobilin;(2R,3E)-18-Ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropanoic acid;3(E)-Phycocyanobilin;16883-97-9;18159-29-0;32140-34-4;86747-24-2;1429732-46-6

  • Categories:

    Organic Chemistry  >  Hydrocarbons and Derivatives

Phycocyanobilin Basic Attributes

586.67800

586.68

3203001990

Characteristics

164.71000

3.12850

1.31±0.1 g/cm3(Predicted)

Safety Information

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Drug Information

21H-biline-8,12-dipropanoic acid, 18-ethyl-3-ethylidene-1,2,3,19,22,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-, (2R,3E)-

Computed Properties

Molecular Weight:586.7
XLogP3:2.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:10
Exact Mass:586.27913494
Monoisotopic Mass:586.27913494
Topological Polar Surface Area:161
Heavy Atom Count:43
Complexity:1460
Undefined Atom Stereocenter Count:1
Undefined Bond Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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