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(±)-Homocysteine

(±)-Homocysteine structure

CAS No:
454-29-5
Formula:
C4H9NO2S
Chemical Name:
(±)-Homocysteine
Synonyms:
Homocysteine;Butyric acid,2-amino-4-mercapto-,DL-;DL-Homocysteine;(±)-Homocysteine;NSC 206252;2-Amino-4-sulfanylbutanoic acid;2-Amino-4-mercaptobutyric acid;2-Amino-4-mercaptobutanoic acid;115154-46-6
Categories:
Biochemical Engineering > Amino Acids and Derivatives

Description

DL-Homocysteine is a weak neurotoxin, and can affect the production of kynurenic acid in the brain.

Homocysteine is a sulfur-containing amino acid consisting of a glycine core with a 2-mercaptoethyl side-chain. It has a role as a fundamental metabolite. It is a sulfur-containing amino acid, a member of homocysteines and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a homocysteinate. It is a tautomer of a homocysteine zwitterion.|A thiol-containing amino acid formed by a demethylation of METHIONINE.

(±)-Homocysteine Basic Attributes

Molecular Weight：

135.18

Exact Mass：

135.18

EC Number：

207-222-9

NSC Number：

118376|206252|43117

HScode：

29309090

Characteristics

PSA：

64.3

XLogP3：

0.22

Appearance：

white powder

Density：

1.3±0.1 g/cm3

Melting Point：

232-233 °C(lit.)

Boiling Point：

299.7±35.0 °C at 760 mmHg

Flash Point：

>230 °F

Refractive Index：

1.538

Water Solubility：

H2O: soluble

Storage Conditions：

2-8°C

Vapor Pressure：

0.000278mmHg at 25°C

Toxicity：

LD50 intraperitoneal in mouse: 500mg/kg

Collision Cross Section：

130.78 Å² [M+H]+ [CCS Type: DT, Method: stepped-field]|127.9 Å² [M-2H+Na]-

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

RTECS Number：

MT0175000

Stability/Shelf Life：

Stable. Combustible. Incompatible with strong oxidizing agents.

Drug Information

MeSH Entry Terms：

2 amino 4 mercaptobutyric acid

Computed Properties

Molecular Weight:135.19
XLogP3:-3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:135.03539970
Monoisotopic Mass:135.03539970
Topological Polar Surface Area:64.3
Heavy Atom Count:8
Complexity:86.1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (±)-Homocysteine

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties
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(±)-Homocysteine

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