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Afzelechin 7-apioside

CAT: 0931-T126339-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T126339-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114590-44-2
Target
Others
Related Pathways
Others
Bioactivity
Afzelechin 7-apioside is a useful organic compound for research related to life sciences. The catalog number is T126339 and the CAS number is 114590-44-2.
Smiles
OC[C@@]1(O)CO[C@@H](Oc2cc(O)c3C[C@H](O)[C@H](Oc3c2)c2ccc(O)cc2)[C@@H]1O
Molecular Formula
C20H22O9
Molecular Weight
406.387
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

D-Apio-beta-D-furanoside, 3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl, (2R-trans)-

Afzelechin 7-apioside is a hydroxyflavan.

CAS Number114590-44-2
PubChem CID13888255
IUPAC Name7-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol
Molecular FormulaC20H22O9
Molecular Weight406.4
XLogP0.3
Topological Polar Surface Area149
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity554
SMILES
C1C(C(OC2=CC(=CC(=C21)O)OC3C(C(CO3)(CO)O)O)C4=CC=C(C=C4)O)O
InChI
InChI=1S/C20H22O9/c21-8-20(26)9-27-19(18(20)25)28-12-5-14(23)13-7-15(24)17(29-16(13)6-12)10-1-3-11(22)4-2-10/h1-6,15,17-19,21-26H,7-9H2
InChIKey
BJBAEYMVZJJUEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D-Apio-beta-D-furanoside, 3,4-dihydro-3,5-dihydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-7-yl, (2R-trans)-
CAS: 114590-44-2
CID: 13888255
Formula: C20H22O9
MW: 406.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight406.4
XLogP30.3
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass406.12638228
Monoisotopic Mass406.12638228
Topological Polar Surface Area149 Ų
Heavy Atom Count29
Formal Charge0
Complexity554
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR19227667-01Afzelechin 7-apioside
MBS5801954Catechin 7-apioside
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MBS5760105(+)-Afzelechin
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