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Terphenyllin

CAT: 0607-BA7753-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7753-10Size:10 mg
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CAS Number
52452-60-5
Form
A solid
Molecular Formula
C20H18O5
Molecular Weight
338.35
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Terphenyllin

Terphenyllin is a para-terphenyl that is 1,1':4',1''-terphenyl substituted by methoxy groups at positions 3' and 6' and hydroxy groups at positions 2', 4 and 4''. It has been isolated from Aspergillus taichungensis. It has a role as a mycotoxin and an Aspergillus metabolite. It is a member of phenols, a dimethoxybenzene and a para-terphenyl.

CAS Number52452-60-5
PubChem CID100437
IUPAC Name2,5-bis(4-hydroxyphenyl)-3,6-dimethoxyphenol
Molecular FormulaC20H18O5
Molecular Weight338.4
XLogP4.1
Topological Polar Surface Area79.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity401
SMILES
COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3
InChIKey
YNEMPXKRLPZFAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Terphenyllin
CAS: 52452-60-5
CID: 100437
Formula: C20H18O5
MW: 338.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.4
XLogP34.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass338.11542367
Monoisotopic Mass338.11542367
Topological Polar Surface Area79.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity401
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T13130-01Terphenyllin
A18967-50Terphenyllin 50mg
A18967-25Terphenyllin 25mg
A18967-2Terphenyllin 2mg
A18967-1Terphenyllin 1mg
HY-119821RTerphenyllin (Standard)
A18967-100Terphenyllin 100mg
A18967-10Terphenyllin 10mg
A18967-5Terphenyllin 5mg
A18967-10mM-DTerphenyllin 10mM * 1mL in DMSO

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