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Protogenkwanin

CAT: 0013-GTR19277754-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277754-05Size:5 mg
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Description
Protogenkwanin is a high-purity biochemical reagent suitable for biochemical experiments and drug synthesis research.
CAS Number
78983-46-7
Smiles
COC1=CC (O) =C2C (=O) C=C (OC2=C1) C1 (O) C=CC (O[C@@H]2O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]2O) C=C1
Molecular Formula
C22H24O11
Molecular Weight
464.42
Notes
For research use only.

Chemical Information

2-(4-beta-d-Glucosyloxy-1-hydroxy-2,5-cyclohexadienyl)-5-hydroxy-7-methoxychromone
CAS Number78983-46-7
PubChem CID13965750
IUPAC Name5-hydroxy-2-[1-hydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohexa-2,5-dien-1-yl]-7-methoxychromen-4-one
Molecular FormulaC22H24O11
Molecular Weight464.4
XLogP-0.4
Topological Polar Surface Area175
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity809
SMILES
COC1=CC(=C2C(=C1)OC(=CC2=O)C3(C=CC(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
InChI
InChI=1S/C22H24O11/c1-30-11-6-12(24)17-13(25)8-16(32-14(17)7-11)22(29)4-2-10(3-5-22)31-21-20(28)19(27)18(26)15(9-23)33-21/h2-8,10,15,18-21,23-24,26-29H,9H2,1H3/t10?,15-,18-,19+,20-,21-,22?/m1/s1
InChIKey
ACGWJYPSNRKNPW-SRNLTMNISA-N
Chemical Structure
2D Structure
2D structure of 2-(4-beta-d-Glucosyloxy-1-hydroxy-2,5-cyclohexadienyl)-5-hydroxy-7-methoxychromone
CAS: 78983-46-7
CID: 13965750
Formula: C22H24O11
MW: 464.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight464.4
XLogP3-0.4
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count11
Rotatable Bond Count5
Exact Mass464.13186158
Monoisotopic Mass464.13186158
Topological Polar Surface Area175 Ų
Heavy Atom Count33
Formal Charge0
Complexity809
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
XP161634-01Protogenkwanin 4'-glucoside

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