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6027-13-0

6027-13-0 structural image
Product Name: L-HOMOCYSTEINE
Formula: C4H9NO2S
Synonyms: (S)-2-Amino-4-mercaptobutyric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Melting Point 232 - 233 °C
Solubility 148 mg/mL
Collision Cross Section 130.53 Ų [M+H]+ [CCS Type: DT, Method: stepped-field]

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H372:Specific target organ toxicity, repeated exposure
H413:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P273:Avoid release to the environment.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P332+P313:IF SKIN irritation occurs: Get medical advice/attention.
P337+P313:IF eye irritation persists: Get medical advice/attention.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 135.19 g/mol
XLogP3 -3.4
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 135.03539970 g/mol
Monoisotopic Mass 135.03539970 g/mol
Topological Polar Surface Area 64.3 Ų
Heavy Atom Count 8
Formal Charge 0
Complexity 86.1
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

L-homocysteine is a homocysteine that has L configuration. It has a role as a mouse metabolite. It is a homocysteine and a serine family amino acid. It is a conjugate acid of a L-homocysteinate. It is a tautomer of a L-homocysteine zwitterion.