 Home > Encyclopedia > calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate

calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate

calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate structure

CAS No:
113443-70-2
Formula:
C21H16CaO11
Chemical Name:
calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate
Synonyms:
Glucorein; Glucorhein; Rhein-8-glucoside calcium salt; Rhein-8-O-Beta-D-glucopyranoside; 8-Glucosylrhein;

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Description

Glucorhein is a member of anthracenes.

calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate Basic Attributes

Molecular Weight：

484.42300

Exact Mass：

484.0318522

DSSTox ID：

DTXSID00150413

Characteristics

PSA：

207.71000

XLogP3：

-0.03730

Boiling Point：

834.5ºC at 760mmHg

Flash Point：

296.4ºC

Vapor Pressure：

1.54E-29mmHg at 25°C

Computed Properties

Molecular Weight:484.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:3
Exact Mass:484.0318522
Monoisotopic Mass:484.0318522
Topological Polar Surface Area:208
Heavy Atom Count:33
Complexity:771
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of calcium,3-carboxy-9,10-dioxo-5-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]anthracene-1,8-diolate

Description
Basic Attributes
Characteristics
Computed Properties

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