Products for Research Use Only
RegisterLogin

Frequentin

CAT: 0926-EBA11903-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-EBA11903-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
29119-03-7
Smiles
CCCC1=CC=CC=C1OCC2CCNCC2.Cl
Molecular Formula
C14H20O4
Molecular Weight
252.31 g/mol
Controlled
No

Chemical Information

Frequentin

Frequentin is an antibiotic produced by Penicillium frequentans Westling. It has a role as a Penicillium metabolite. It is a hydroxycyclohexanone and a carbocyclic antibiotic.

CAS Number29119-03-7
PubChem CID5461035
IUPAC Name(1R,3R,4R)-6-[(1E,3E)-hepta-1,3-dienyl]-3,4-dihydroxy-2-oxocyclohexane-1-carbaldehyde
Molecular FormulaC14H20O4
Molecular Weight252.31
XLogP1.3
Topological Polar Surface Area74.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity346
SMILES
CCC/C=C/C=C/C1C[C@H]([C@H](C(=O)[C@H]1C=O)O)O
InChI
InChI=1S/C14H20O4/c1-2-3-4-5-6-7-10-8-12(16)14(18)13(17)11(10)9-15/h4-7,9-12,14,16,18H,2-3,8H2,1H3/b5-4+,7-6+/t10?,11-,12+,14+/m0/s1
InChIKey
MHZVWXOKIRZLCJ-RVZXZRSKSA-N
Chemical Structure
2D Structure
2D structure of Frequentin
CAS: 29119-03-7
CID: 5461035
Formula: C14H20O4
MW: 252.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight252.31
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass252.13615911
Monoisotopic Mass252.13615911
Topological Polar Surface Area74.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27389-01Frequentin

Popular Products