Home > Name List By 7 > 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4, 5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

CAS No 531-75-9 , 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,
5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

  • Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,
    5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
  • Synonyms: (-)-Esculin; Aesculin; CHEBI:4853;7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,
    5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one; 6,7-Dihydroxycoumarin-6-O-glucoside; 531-75-9; aesculin;Esculoside; Esculin; Esculetin 6-O-glucoside;
  • CAS Registry Number:
  • Transport: UN 2924 3/PG 2
  • Melting Point: 203-205 ºC
  • Flash Point: 262.8 ºC
  • Boiling Point: 697.7 ºC at 760 mmHg
  • Density: 1.679 g/cm3
  • Refractive index: -79 ° (C=2.4, 50% Dioxane)
  • Alpha: -88 º (C=2,DIOXANE/WATER1:1)
  • Safety Statements: 11-20/21/22-34-68/20/21/22,
  • Hazard Symbols: F,C,Xi:;
  • Flash Point: 262.8 ºC
  • EINECS: 208-517-5
  • Molecular Weight: 340.28214
  • InchiKey: XHCADAYNFIFUHF-TVKJYDDYSA-N
  • 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
  • Risk Statements: S24/25
  • Molecular Formula: C15H16O9
  • Molecular Structure:CAS No:531-75-9 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,<br />5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one

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References of 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,
5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
Title: Esculin
CAS Registry Number: 531-75-9
CAS Name: 6-(b-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
Synonyms: 6,7-dihydroxycoumarin 6-glucoside; esculoside; bicolorin; enallachrome; polychrome
Trademarks: Escosyl
Molecular Formula: C15H16O9
Molecular Weight: 340.28
Percent Composition: C 52.94%, H 4.74%, O 42.32%
Literature References: In leaves and bark of horse chestnut tree Aesculus hippocastanum L., Hippocastanaceae. Extraction procedure: Tumann, Chem. Zentralbl. 1916, I, 1277. Synthesis: Merz, Hagemann, Naturwissenschaften 29, 650 (1941); eidem, Arch. Pharm. 282, 79 (1944); Amiard, Nominé, Bull. Soc. Chim. Fr. 1948, 476. Use in bile-esculin test for identification of group D streptococci: C. Chuard, L. B. Reller, J. Clin. Microbiol. 36, 1135 (1998).
 
Derivative Type: Sesquihydrate
Properties: Needles from hot water, mp 204-206°. One gram dissolves in 580 ml water, 13 ml boiling water. Sol in hot alcohol, methanol, pyridine, ethyl acetate, acetic acid. Aq solns show blue fluorescence above pH 5.8. [a]D18 -78.4° (c = 2.5 in 50% dioxane). Absorption spectrum: Merz, Arch. Pharm. 270, 482 (1932); Goodwin, Pollock, Arch. Biochem. Biophys. 49, 1 (1954). Has vitamin P activity.
Melting point: mp 204-206°
Optical Rotation: [a]D18 -78.4° (c = 2.5 in 50% dioxane)
 
Derivative Type: Pentaacetate dihydrate
Properties: Needles from methanol, mp 163-164°.
Melting point: mp 163-164°
 
Derivative Type: 4-Methylesculin
Molecular Formula: C16H18O9
Molecular Weight: 354.31
Percent Composition: C 54.24%, H 5.12%, O 40.64%
Literature References: Prepn: Velluz, Amiard, Bull. Soc. Chim. Fr. 1948, 1109.
 
Use: Reagent for microbiological identification test.