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Esculin

CAT: 0931-T2885-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T2885-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
531-75-9
Target
Antiviral, p38 MAPK, Antibacterial
Related Pathways
Immunology/Inflammation, Microbiology/Virology, MAPK
Purity
0.9983
Bioactivity
Esculin (Aesculin) is a glucoside found in horse chestnuts.
Smiles
OCC1OC(Oc2cc3ccc(=O)oc3cc2O)C(O)C(O)C1O
Molecular Formula
C15H16O9
Molecular Weight
340.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Esculin

Esculin is a hydroxycoumarin that is the 6-O-beta-D-glucoside of esculetin. It has a role as an antioxidant and a metabolite. It is a beta-D-glucoside and a hydroxycoumarin. It is functionally related to an esculetin.

CAS Number531-75-9
PubChem CID5281417
IUPAC Name7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Molecular FormulaC15H16O9
Molecular Weight340.28
XLogP-0.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity495
SMILES
C1=CC(=O)OC2=CC(=C(C=C21)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O
InChI
InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey
XHCADAYNFIFUHF-TVKJYDDYSA-N
Chemical Structure
2D Structure
2D structure of Esculin
CAS: 531-75-9
CID: 5281417
Formula: C15H16O9
MW: 340.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.28
XLogP3-0.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass340.07943208
Monoisotopic Mass340.07943208
Topological Polar Surface Area146 Ų
Heavy Atom Count24
Formal Charge0
Complexity495
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

Related Products

CatalogName
T2798-01Esculetin
T0278-01Escin
T131545-01Aesculin (Esculetin; Cichorigenin; Esculetol)
T125324-01Escin IV
T39080Escin Ie
T8846-01Beta-Escin
TN1358-01Escin IIA
TN1623-01Escin IIB
T4S1383-01Escin IA
T5S1389-01Escin IB

Alternative Products

CatalogName
N1766-20Esculin

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