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Gossypetin 3-methylether

CAT: 0013-GTR19229624-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229624-01Size:1 mg
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Description
Gossypetin 3-methylether
CAS Number
86749-51-1
Smiles
COc1c (oc2c (O) c (O) cc (O) c2c1=O) -c1ccc (O) c (O) c1
Molecular Formula
C16H12O8
Molecular Weight
332.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-4H-chromen-4-one

Gossypetin 3-methyl ether is an ether and a member of flavonoids.

CAS Number86749-51-1
PubChem CID5386958
IUPAC Name2-(3,4-dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxychromen-4-one
Molecular FormulaC16H12O8
Molecular Weight332.26
XLogP2.1
Topological Polar Surface Area137
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
COC1=C(OC2=C(C1=O)C(=CC(=C2O)O)O)C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12O8/c1-23-16-13(22)11-9(19)5-10(20)12(21)15(11)24-14(16)6-2-3-7(17)8(18)4-6/h2-5,17-21H,1H3
InChIKey
WLHKPDQFOBROCS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3,4-Dihydroxyphenyl)-5,7,8-trihydroxy-3-methoxy-4H-chromen-4-one
CAS: 86749-51-1
CID: 5386958
Formula: C16H12O8
MW: 332.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.26
XLogP32.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass332.05321734
Monoisotopic Mass332.05321734
Topological Polar Surface Area137 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T124054-01Gossypetin 3-methylether
HY-N12471-01Gossypetin 3′-O-glucoside
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TN7696-01Gossypetin 3'-O-glucoside
HY-N11557-01Gossypetin 3-sophoroside-8-glucoside
M38461Gossypetin 3-sophoroside-7-glucoside
TN7974-01Gossypetin 3-O-β-D-glucopyranoside
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