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Hemiphloin

CAT: 0013-GTR19155017-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155017-01Size:100 mg
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Description
Hemiphloin is a natural flavonoid.
CAS Number
71963-94-5
Purity
>98% (HPLC)
Smiles
O=C1CC (C2=CC=C (O) C=C2) OC3=CC (O) =C ([C@H]4[C@@H] ([C@H] ([C@@H] ([C@@H] (CO) O4) O) O) O) C (O) =C13
Molecular Formula
C21H22O10
Molecular Weight
434.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Hemiphloin

Hemiphloin is a C-glycosyl compound and a member of flavonoids.

CAS Number71963-94-5
PubChem CID160711
IUPAC Name(2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-2,3-dihydrochromen-4-one
Molecular FormulaC21H22O10
Molecular Weight434.4
XLogP-0.1
Topological Polar Surface Area177
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity638
SMILES
C1[C@H](OC2=C(C1=O)C(=C(C(=C2)O)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C21H22O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-4,6,12,14,17,19-23,25-29H,5,7H2/t12-,14+,17+,19-,20+,21-/m0/s1
InChIKey
QKPKGDDHOGIEOO-JVVVWQBKSA-N
Chemical Structure
2D Structure
2D structure of Hemiphloin
CAS: 71963-94-5
CID: 160711
Formula: C21H22O10
MW: 434.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight434.4
XLogP3-0.1
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass434.12129689
Monoisotopic Mass434.12129689
Topological Polar Surface Area177 Ų
Heavy Atom Count31
Formal Charge0
Complexity638
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
WCA96394-01Hemiphloin
HY-N8202(Rac) -Hemiphloin

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