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Home > Encyclopedia > 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one structure

8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one 

structure
  • CAS No:

    134044-97-6

  • Formula:

    C22H22O8

  • Chemical Name:

    8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

  • Synonyms:

    Aciculatin; 8-(2,6-Dideoxy-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one sesquihydrate;

Description

Aciculatin is a member of flavonoids and a C-glycosyl compound.

8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one Basic Attributes

414.40500

414.13146766 g/mol

DTXSID30158467

Characteristics

129.59000

2.45150

1.447g/cm3

686.2ºC

242.7ºC

1.657

8.94E-20mmHg at 25°C

Drug Information

8-(2,6-dideoxy-ribo-hexopyranosyl)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one sesquihydrate

Computed Properties

Molecular Weight:414.4
XLogP3:2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:3
Exact Mass:414.13146766
Monoisotopic Mass:414.13146766
Topological Polar Surface Area:126
Heavy Atom Count:30
Complexity:658
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 8-[(2S,4S,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

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