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Ubiquinone-5

CAT: 0024-sc-205876Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-205876Size:2 mg
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CAS Number
727-81-1

Chemical Information

Coenzyme Q1

Ubiquinones is any benzoquinone derived from 2,3-dimethoxy-5-methylbenzoquinone; one of a group of naturally occurring homologues. The redox-active quinoid moiety usually carries a polyprenoid side chain at position 6, the number of isoprenoid units in which is species-specific. Ubiquinones are involved in the control of mitochondrial electron transport, and are also potent anti-oxidants. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a member of 1,4-benzoquinones and a prenylquinone. It is functionally related to a 2,3-dihydroxy-5-methyl-1,4-benzoquinone.

CAS Number727-81-1
PubChem CID4462
IUPAC Name2,3-dimethoxy-5-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,5-diene-1,4-dione
Molecular FormulaC14H18O4
Molecular Weight250.29
XLogP2.8
Topological Polar Surface Area52.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity474
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C
InChI
InChI=1S/C14H18O4/c1-8(2)6-7-10-9(3)11(15)13(17-4)14(18-5)12(10)16/h6H,7H2,1-5H3
InChIKey
SOECUQMRSRVZQQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Coenzyme Q1
CAS: 727-81-1
CID: 4462
Formula: C14H18O4
MW: 250.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.29
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass250.12050905
Monoisotopic Mass250.12050905
Topological Polar Surface Area52.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity474
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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