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Glucoemodin

Glucoemodin structure

CAS No:
34298-85-6
Formula:
C21H20O10
Chemical Name:
Glucoemodin
Synonyms:
9,10-Anthracenedione,3-(β-D-glucopyranosyloxy)-1,8-dihydroxy-6-methyl-;Glucopyranoside,4,5-dihydroxy-7-methyl-2-anthraquinonyl,β-D-;3-(β-D-Glucopyranosyloxy)-1,8-dihydroxy-6-methyl-9,10-anthracenedione;Glucoemodin;Emodin 6-O-β-D-glucoside;Clicoemodin;Emodin-6-O-β-D-glucopyranoside;Emodin glucoside;27497-12-7;58448-65-0;86451-01-6
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Glucoemodin Basic Attributes

Molecular Weight：

432.38

Exact Mass：

432.38

DSSTox ID：

DTXSID60348379

Characteristics

PSA：

174 Å²

XLogP3：

-0.6397

Density：

1.667±0.06 g/cm3

Melting Point：

176-178 °C

Boiling Point：

801.9±65.0 °C(Predicted)

PKA：

5.99±0.20

Computed Properties

Molecular Weight:432.4
XLogP3:0.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:3
Exact Mass:432.10564683
Monoisotopic Mass:432.10564683
Topological Polar Surface Area:174
Heavy Atom Count:31
Complexity:700
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes