(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | CAS No. 1257-08-5

(2R,3R)-2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate

Basic Information

CAS Number

1257-08-5

Molecular Formula

C22H18O10

Molecular Weight

442.38 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

255°C

Boiling Point

920.9°C at 760 mmHg

Density

1.8000

Water Solubility

Soluble in water, acetone, DMSO, methanol.

Solubility

36.86 mg/L @ 25 °C (est)

C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O

InChI

InChI=1S/C22H18O10/c23-11-6-14(25)12-8-19(32-22(30)10-4-16(27)20(29)17(28)5-10)21(31-18(12)7-11)9-1-2-13(24)15(26)3-9/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1

InChIKey

LSHVYAFMTMFKBA-TZIWHRDSSA-N

LogP

2.5276000000000014

Topological Polar Surface Area

177.14 Ų

Hydrogen Bond Donor/Acceptor

7 / 10

Complexity

649

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

2-8℃

Synonyms & References

English

  • Epicatechol, gallate
  • (-)-Epicatechin gallate
  • 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester
  • (-)-Epicatechin-3-O-gallate
  • NSC 636594
  • epicatechin-gallate-(-)
  • (-)-Epicatechin 3-gallate
  • ECG
  • KBioGR_001980
  • BRD-K50660797-001-01-0
  • Epicatechin gallate, primary pharmaceutical reference standard
  • SCHEMBL39047
  • SDCCGMLS-0066549.P001
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
  • EPICATECHOL 3-GALLATE
  • (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl 3,4,5-trihydroxybenzoate
  • [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chroman-3-yl] 3,4,5-trihydroxybenzoate
  • E0890
  • epicatechin-3-O-gallate
  • (-)-Epicatechin-3-gallate
  • CHEMBL36327
  • Spectrum2_000165
  • KBio2_003362
  • Q-200002
  • epicatechin gallate (ECG)
  • KBioSS_000794
  • (-)-epicatechingallate
  • Benzoic acid, 3,4,5-trihydroxy-, (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-5,7-dihydroxy-2H-1-benzopyran-3-yl ester
  • 92587OVD8Z
  • Spectrum4_001540
  • EPICATECHIN 3-O-GALLATE

MDL Number

MFCD00075936

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