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Dihydrokawain-5-ol

CAT: 0931-T124886-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T124886-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
41002-33-9
Target
Others
Related Pathways
Others
Bioactivity
Dihydrokawain-5-ol is a useful organic compound for research related to life sciences. The catalog number is T124886 and the CAS number is 41002-33-9.
Smiles
COC1=CC(=O)O[C@@H](CCc2ccccc2)[C@@H]1O
Molecular Formula
C14H16O4
Molecular Weight
248.278
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
CAS Number41002-33-9
PubChem CID11322609
IUPAC Name(2S,3S)-3-hydroxy-4-methoxy-2-(2-phenylethyl)-2,3-dihydropyran-6-one
Molecular FormulaC14H16O4
Molecular Weight248.27
XLogP1.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity318
SMILES
COC1=CC(=O)O[C@H]([C@@H]1O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H16O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-6,9,11,14,16H,7-8H2,1H3/t11-,14-/m0/s1
InChIKey
VJCNEDVMYQCMBK-FZMZJTMJSA-N
Chemical Structure
2D Structure
2D structure of (5S,6S)-4-Methoxy-5-hydroxy-6-phenethyl-5,6-dihydro-2H-pyran-2-one
CAS: 41002-33-9
CID: 11322609
Formula: C14H16O4
MW: 248.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight248.27
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass248.10485899
Monoisotopic Mass248.10485899
Topological Polar Surface Area55.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity318
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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