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Gadusol

Gadusol structure

CAS No:
76663-30-4
Formula:
C8H12O6
Chemical Name:
Gadusol
Synonyms:
2-Cyclohexen-1-one,3,5,6-trihydroxy-5-(hydroxymethyl)-2-methoxy-;3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one;Gadusol
Categories:
Chemical Reagents > Organic Reagents

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Description

3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one is a member of cyclohexenones.

Gadusol Basic Attributes

Molecular Weight：

204.18 g/mol

Exact Mass：

204.18

Characteristics

PSA：

107 Å²

Chemical Classes：

other linear non-peptide (Mycosporine?like amino acids)

Drug Information

MeSH Entry Terms：

1,4,5-trihydroxy-5-hydroxymethyl-2-methoxycyclohex-1-en-3-one

Computed Properties

Molecular Weight:204.18
XLogP3:-2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:204.06338810
Monoisotopic Mass:204.06338810
Topological Polar Surface Area:107
Heavy Atom Count:14
Complexity:284
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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