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Compound FL0241

CAT: 0931-FL0241-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0931-FL0241-02Size:5 g
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CAS Number
874638-80-9
Bioactivity
Compound FL0241, with CAS No. 874638-80-9, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0241 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
C[C@@]1(F)[C@H](OC(=O)c2ccccc2)[C@@H](COC(=O)c2ccccc2)OC1=O
Molecular Formula
C20H17FO6
Molecular Weight
372.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid gamma-lactone 3,5-dibenzoate
CAS Number874638-80-9
PubChem CID42625091
IUPAC Name[(2R,3R,4R)-3-benzoyloxy-4-fluoro-4-methyl-5-oxooxolan-2-yl]methyl benzoate
Molecular FormulaC20H17FO6
Molecular Weight372.3
XLogP3.7
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity567
SMILES
C[C@]1([C@@H]([C@H](OC1=O)COC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)F
InChI
InChI=1S/C20H17FO6/c1-20(21)16(27-18(23)14-10-6-3-7-11-14)15(26-19(20)24)12-25-17(22)13-8-4-2-5-9-13/h2-11,15-16H,12H2,1H3/t15-,16-,20-/m1/s1
InChIKey
OUKYMZJNLWKCSO-JXXFODFXSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-Deoxy-2-fluoro-2-methyl-D-erythro-pentonic acid gamma-lactone 3,5-dibenzoate
CAS: 874638-80-9
CID: 42625091
Formula: C20H17FO6
MW: 372.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.3
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass372.10091642
Monoisotopic Mass372.10091642
Topological Polar Surface Area78.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity567
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
FL0221-01Compound FL0221
FL0244-01Compound FL0244
FL0247-01Compound FL0247
FL0041-01Compound FL0041
FL0201-01Compound FL0201
FL0240-01Compound FL0240
FL0218-01Compound FL0218
FL0121-01Compound FL0121
FL0280-01Compound FL0280
FL0290-01Compound FL0290

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