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Coretinphencone

CAT: 0013-GTR19164963-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19164963-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Coretinphencone
CAS Number
1631711-77-7
Product Name Alternative
Coretinphencone
Purity
99.95% (May vary between batches)
Solubility
DMSO:50 mg/mL (151.38 mM)
Smiles
O ([C@@H]1O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]1O) C2=C (O) C (O) =C (C (C) =O) C=C2
Molecular Formula
C14H18O9
Molecular Weight
330.29
Storage Conditions
Powder: -20°C for 3 years | In solvent: -80°C for 1 year | Shipping with blue ice/Shipping at ambient temperature.
Notes
For research use only.

Chemical Information

Coretinphencone
CAS Number1631711-77-7
PubChem CID90468446
IUPAC Name1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethanone
Molecular FormulaC14H18O9
Molecular Weight330.29
XLogP-0.8
Topological Polar Surface Area157
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity417
SMILES
CC(=O)C1=C(C(=C(C=C1)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
InChI
InChI=1S/C14H18O9/c1-5(16)6-2-3-7(10(18)9(6)17)22-14-13(21)12(20)11(19)8(4-15)23-14/h2-3,8,11-15,17-21H,4H2,1H3/t8-,11-,12+,13-,14-/m1/s1
InChIKey
IYOWHSWFFIPSDK-LNNRFACYSA-N
Chemical Structure
2D Structure
2D structure of Coretinphencone
CAS: 1631711-77-7
CID: 90468446
Formula: C14H18O9
MW: 330.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.29
XLogP3-0.8
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass330.09508215
Monoisotopic Mass330.09508215
Topological Polar Surface Area157 Ų
Heavy Atom Count23
Formal Charge0
Complexity417
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3617911-01Coretinphencone

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