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(−)-trans-C75

CAT: 0607-C4154-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-C4154-1Size:1 mg
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Description
enantiomer of C75, a FAS inhibitor
CAS Number
1234694-22-4
Product Name Alternative
tetrahydro-4-methylene-2S-octyl-5-oxo-3R-furancarboxylic acid
Sequence
(2S,3R)-C75
Field of Research
Others FAS
Purity
≥97.00%
Form
A crystalline solid
Solubility
≤10mg/ml in DMSO;10mg/ml in dimethyl formamide
Smiles
CCCCCCCC[C@H](OC1=O)[C@H](C(O)=O)C1=C
Molecular Formula
C14H22O4
Molecular Weight
254.3
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

(2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid

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

CAS Number1234694-22-4
PubChem CID6482234
IUPAC Name(2S,3R)-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+/m0/s1
InChIKey
VCWLZDVWHQVAJU-NWDGAFQWSA-N
Chemical Structure
2D Structure
2D structure of (2S,3R)-4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
CAS: 1234694-22-4
CID: 6482234
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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