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Vialinin A 50mg

CAT: 0628-A15321-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A15321-50Size:50 mg
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CAS Number
858134-23-3

Chemical Information

Vialinin A

Vialinin A is a para-terphenyl.

CAS Number858134-23-3
PubChem CID11563133
IUPAC Name[3,4-dihydroxy-2,5-bis(4-hydroxyphenyl)-6-(2-phenylacetyl)oxyphenyl] 2-phenylacetate
Molecular FormulaC34H26O8
Molecular Weight562.6
XLogP6.4
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity782
SMILES
C1=CC=C(C=C1)CC(=O)OC2=C(C(=C(C(=C2C3=CC=C(C=C3)O)O)O)C4=CC=C(C=C4)O)OC(=O)CC5=CC=CC=C5
InChI
InChI=1S/C34H26O8/c35-25-15-11-23(12-16-25)29-31(39)32(40)30(24-13-17-26(36)18-14-24)34(42-28(38)20-22-9-5-2-6-10-22)33(29)41-27(37)19-21-7-3-1-4-8-21/h1-18,35-36,39-40H,19-20H2
InChIKey
NOJUKCRPSUMHQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Vialinin A
CAS: 858134-23-3
CID: 11563133
Formula: C34H26O8
MW: 562.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.6
XLogP36.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass562.16276778
Monoisotopic Mass562.16276778
Topological Polar Surface Area134 Ų
Heavy Atom Count42
Formal Charge0
Complexity782
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

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