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C 75

CAT: 0607-A4449-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-A4449-10Size:10 mg
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Description
Fatty acid synthase (FAS) inhibitor
CAS Number
191282-48-1
Product Name Alternative
4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Field of Research
Apoptosis Apoptosis Inducers
Purity
0.98
Form
A crystalline solid
Solubility
≥22.5 mg/mL in DMSO; ≥24.5 mg/mL in EtOH; insoluble in H2O
Smiles
CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O
Molecular Formula
C14H22O4
Molecular Weight
254.32
Shipping Conditions
Blue ice
Storage Conditions
Store at 4°C.

Chemical Information

(2R,3S)-C75

(2R,3S)-C75 is a 4-methylidene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid that has 2R,3S-configuration. It is an enantiomer of a (2S,3R)-C75.

CAS Number191282-48-1
PubChem CID9881506
IUPAC Name(2R,3S)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Molecular FormulaC14H22O4
Molecular Weight254.32
XLogP4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
CCCCCCCC[C@@H]1[C@H](C(=C)C(=O)O1)C(=O)O
InChI
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)/t11-,12+/m1/s1
InChIKey
VCWLZDVWHQVAJU-NEPJUHHUSA-N
Chemical Structure
2D Structure
2D structure of (2R,3S)-C75
CAS: 191282-48-1
CID: 9881506
Formula: C14H22O4
MW: 254.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.32
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass254.15180918
Monoisotopic Mass254.15180918
Topological Polar Surface Area63.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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