Cas no 577-38-8 (flavanomarein)

flavanomarein structure
flavanomarein structure
Product Name:flavanomarein
CAS No:577-38-8
MF:C21H22O11
MW:450.392787456512
MDL:MFCD00136058
CID:947482
PubChem ID:101781
Update Time:2025-04-19

flavanomarein Chemical and Physical Properties

Names and Identifiers

    • flavanomarein
    • Flavanomarein with hplc
    • FLAVANOMAREIN(SH)
    • 3',4',7,8-TETRAHYDROXYFLAVANONE-7-O-GLUCOSIDE
    • 7-O-GLUCOSYL-4',5',8-TRIHYDROXYFLAVANONE
    • ISOOKANIN-7-GLUCOSIDE
    • ISOOKANIN-7-O-GLUCOSIDE
    • TRIHYDROXYFLAVANONE
    • HY-N7675
    • CCG-208625
    • DTXSID70973292
    • SR-05000002161
    • SCHEMBL2490125
    • MFCD00136058
    • 2-(3,4-Dihydroxyphenyl)-8-hydroxy-4-oxo-3,4-dihydro-2H-1-benzopyran-7-yl hexopyranoside
    • Q63392622
    • NS00042907
    • D85186
    • (S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)chroman-4-one
    • NCGC00163555-01
    • 577-38-8
    • MS-28161
    • SR-05000002161-2
    • (S)-2-(3,4-Dihydroxyphenyl)-8-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
    • (S)-2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-2,3-dihydro-8-hydroxy-4H-1-benzopyran-4-one
    • AKOS040760399
    • EINECS 209-411-1
    • CHEMBL1405715
    • CS-0135180
    • (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • (2S)-2-(3,4-DIHYDROXYPHENYL)-8-HYDROXY-7-{[(2S,3R,4S,5S,6R)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YL]OXY}-2,3-DIHYDRO-1-BENZOPYRAN-4-ONE
    • 2-(3,4-dihydroxyphenyl)-8-hydroxy-7-((2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • 2-(3,4-dihydroxyphenyl)-8-hydroxy-7-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
    • DA-59661
    • (2S)-2-(3,4-dihydroxyphenyl)-8-hydroxy-7-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-2,3-dihydrochromen-4-one
    • MDL: MFCD00136058
    • Inchi: 1S/C21H22O11/c22-7-15-16(26)18(28)19(29)21(32-15)31-13-4-2-9-11(24)6-14(30-20(9)17(13)27)8-1-3-10(23)12(25)5-8/h1-5,14-16,18-19,21-23,25-29H,6-7H2/t14-,15+,16+,18-,19+,21+/m0/s1
    • InChI Key: DGGOLFCPSUVVHX-RTHJTPBESA-N
    • SMILES: O1[C@H]([C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O)OC1C=CC2C(C[C@@H](C3C=CC(=C(C=3)O)O)OC=2C=1O)=O

Computed Properties

  • Exact Mass: 450.11600
  • Monoisotopic Mass: 450.116
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 7
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 4
  • Complexity: 662
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 186A^2
  • Molecular Weight: 450.4
  • XLogP3: -0.3

Experimental Properties

  • Color/Form: Powder
  • Density: 1.665
  • Melting Point: 243-246°C
  • Boiling Point: 818.2°C at 760 mmHg
  • Flash Point: 288.9°C
  • Refractive Index: 1.712
  • PSA: 186.37000
  • LogP: -0.31140

flavanomarein Security Information

  • Hazardous Material Identification: Xi

flavanomarein Pricemore >>

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