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

Esculin

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
ω 1.1295 Relay (1.0) Calculated Property
ΔfG° -812.43 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1254.73 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 188.53 kJ/mol Relay (1.0) Calculated Property
IE 8.69 eV Relay (1.0) Calculated Property
log10WS -1.58 Relay (1.0) Calculated Property
logPoct/wat -1.323 Crippen Calculated Property
McVol 220.960 ml/mol McGowan Calculated Property
Pc 2538.42 kPa Relay (1.0-beta) Calculated Property
Tboil 772.86 K Relay (1.0) Calculated Property
Tc 1124.11 K Relay (1.0) Calculated Property
Tfus 465.59 K Relay (1.0) Calculated Property
Vc 0.823 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

5-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2h-chromen-7-yl 6-o-(6-deoxyhexopyranosyl)hexopyranoside. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. 1H-Indole-3-ethanol, 2-(5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl)-, [1S-(1«alpha»,2«alpha»,4«alpha»,5«beta»)]-. Cytidine, N-methyl-, 2',3',5'-trimethyl ether. Scopoletin «beta»-D-glucopyranoside, TFA. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine. Ergocristine.

Find more compounds similar to Esculin.

Sources

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