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Phycocyanobilin

CAT: 0607-BA6182-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA6182-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
20298-86-6
Form
A solid
Molecular Formula
C33H38N4O6
Molecular Weight
586.68
Shipping Conditions
Blue ice
Storage Conditions
4°C, protect from light.

Chemical Information

Phycobilin

See also: Phycocyanobilin (annotation moved to) ... View More ...

CAS Number20298-86-6
PubChem CID6438349
IUPAC Name3-[(2Z,5E)-2-[[3-(2-carboxyethyl)-5-[(Z)-[(3E,4R)-3-ethylidene-4-methyl-5-oxopyrrolidin-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(4-ethyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-4-methylpyrrol-3-yl]propanoic acid
Molecular FormulaC33H38N4O6
Molecular Weight586.7
XLogP2.5
Topological Polar Surface Area161
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count43
Formal Charge0
Complexity1460
SMILES
CCC1=C(C(=NC1=O)/C=C/2\C(=C(/C(=C/C3=C(C(=C(N3)/C=C\4/C(=C/C)/[C@H](C(=O)N4)C)C)CCC(=O)O)/N2)CCC(=O)O)C)C
InChI
InChI=1S/C33H38N4O6/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/h7,13-15,19,34-35H,8-12H2,1-6H3,(H,37,42)(H,38,39)(H,40,41)/b20-7+,24-13+,27-14-,28-15-/t19-/m1/s1
InChIKey
NNMALANKTSRILL-LXENMSTPSA-N
Chemical Structure
2D Structure
2D structure of Phycobilin
CAS: 20298-86-6
CID: 6438349
Formula: C33H38N4O6
MW: 586.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight586.7
XLogP32.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass586.27913494
Monoisotopic Mass586.27913494
Topological Polar Surface Area161 Ų
Heavy Atom Count43
Formal Charge0
Complexity1460
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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