Chemical Properties of Esculin (CAS 531-75-9)

Esculin

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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
InChI Key
XHCADAYNFIFUHF-UHFFFAOYSA-N
Formula
C15H16O9
SMILES
O=c1ccc2cc(OC3OC(CO)C(O)C(O)C3O)c(O)cc2o1
Molecular Weight1
340.28
CAS
531-75-9
Other Names
  • 2H-1-Benzopyran-2-one, 6-(«beta»-D-glucopyranosyloxy)-7-hydroxy-
  • 6-(«beta»-D-Glucopyranosyloxy)-7-hydroxy-cumarin
  • Aesculin
  • Bicolorin
  • Crataegin
  • Enallachrome
  • Escosyl
  • Esculetin 6-«beta»-D-glucoside
  • Esculine
  • Esculoside
  • Polychrom
  • Polychrome
  • Vitamin C2
  • 6-(«beta»-d-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
  • (-)-Esculin
  • 7-Hydroxy-2-oxo-2h-chromen-6-yl hexopyranoside
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Physical Properties

Property Value Unit Source
log10WS -5.28 Crippen Calculated Property
logPoct/wat -1.323 Crippen Calculated Property
McVol 220.960 ml/mol McGowan Calculated Property

Similar Compounds

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Cytidine, N-methyl-, 2',3',5'-trimethyl ether. Scopoletin «beta»-D-glucopyranoside, TFA. 13-Acetoxyanagyrine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine. Codeine-propionyl. Etorphine. Ajmaline. Galantamin.

Find more compounds similar to Esculin.

Sources

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