(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate

Basic Information

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CAS Number

23651-95-8

Molecular Formula

C9H11NO5

Molecular Weight

213.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

225°C(dec.)

Boiling Point

549.8±50.0 °C at 760 mmHg

Flash Point

286.3±30.1 °C

Solubility

DMSO: ≥3mg/mL

Vapor Pressure

No data available

Specific Rotation

D20 -39° (c = 1 in 1N aq HCl); D20 -42.0° (c = 1 in 1N aq HCl)

SMILES

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C1=CC(=C(C=C1C(C(C(=O)O)N)O)O)O

InChI

InChI=1S/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)/t7-,8-/m0/s1

InChIKey

QXWYKJLNLSIPIN-YUMQZZPRSA-N

LogP

-0.4569000000000003

Topological Polar Surface Area

124.01 Å²

Hydrogen Bond Donor/Acceptor

6 / 6

Complexity

235

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

L-Tyrosine, beta,3-dihydroxy-, (beta-R)-
(-)-threo-3-(3,4-Dihydroxyphenyl)-L-serine
Northera (TN)
D-TYROSINE, .BETA.,3-DIHYDROXY-, (.BETA.S)-REL-
DROXIDOPA (MART.)
BCP06516
Serine, 3-(3,4-dihydroxyphenyl)-, DL-threo-
L-threo-3,4-dihydroxyphenylserine
Serine, 3-(3,4-dihydroxyphenyl)-, L-threo-
1260173-94-1
D4235
SM5688
3,4 threo DOPS
Droxidopa (L-threo-3-(3,4-Dihydroxyphenyl)serine)
L-DOPS, >=98% (HPLC)
Norethra
24A0V01WKS
NCGC00344531-04
L-threo DOPS
(-)-(2S,3R)-2-AMINO-3-(3,4-DIHYDROXYPHENYL)-3-HYDROXYPROPANOIC ACID
UNII-J7A92W69L7
Droxidopa [Latin]
(2S,3R)-3,4-dihydroxy-phenylserine
(2S,3R)-2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoic acid
L-threo-Droxidopa
s3041
L-threo-dihydroxyphenylserine
SM-5688
L-threo 3,4-Dihydroxyphenylserine
CHEBI:31524
Threo-dihydroxyphenylserine

MDL Number

MFCD00799030

Customs Code

29225090

FAQ

What is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8)?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) is a chemical compound with a specific stereochemistry. It is an ammonium salt derived from a dihydroxybenzene derivative, characterized by its amine and hydroxyl functional groups.

What are the main uses of (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8)?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) is primarily used in pharmaceutical applications, such as in the synthesis of other compounds, and in research for its unique structural properties.

Is (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) safe?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) is generally considered safe under normal handling conditions. However, it is important to follow safety guidelines and use appropriate personal protective equipment when working with this compound.

How should (2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) be stored?

(2S,3S)-2-Ammonio-3-(3,4-dihydroxyphenyl)-3-hydroxypropanoate (CAS: 23651-95-8) should be stored in a cool, dry place, protected from light. It should be kept in a tightly sealed container to maintain its stability and purity. Storage at temperatures below 25°C is recommended to prevent degradation.