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S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione

S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione structure

CAS No:
1309781-40-5
Formula:
C18H25N3O8S
Chemical Name:
S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione
Synonyms:
S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione;Glycine, L-γ-glutamyl-S-[2-hydroxy-1-(4-hydroxyphenyl)ethyl]-L-cysteinyl-

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S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione Basic Attributes

Molecular Weight：

443.47

Exact Mass：

443.13623594

Characteristics

Density：

1.461±0.06 g/cm3

Boiling Point：

906.5±65.0 °C(Predicted)

PKA：

2.21±0.10

S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione Use and Manufacturing

S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione is a glutathione conjugate of 4-(2-oxiranyl)-phenol (4VPO) and a metabolite of 4-vinylphenol following incubation with mouse lung microsomes.

Computed Properties

Molecular Weight:443.5
XLogP3:-3.6
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:443.13623594
Monoisotopic Mass:443.13623594
Topological Polar Surface Area:225
Heavy Atom Count:30
Complexity:598
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-[2-Hydroxy-1-(4-hydroxyphenyl)ethyl]-L-glutathione

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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