4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid

Base Information

• Chemical Name: 4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid
• CAS No.: 54398-03-7
• Molecular Formula: C13H19 N3 O8 S
• Molecular Weight: 379.39
• DSSTox Substance ID: DTXSID10969518
• Wikidata: Q82952535
• Mol file: 54398-03-7.mol

Synonyms:DTXSID10969518;4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid

Chemical Property of 4-Amino-5-({1-[(carboxymethyl)imino]-1-hydroxy-3-[(2-oxopropanoyl)sulfanyl]propan-2-yl}imino)-5-hydroxypentanoic acid

Chemical Property:

• Vapor Pressure: 4.07E-26mmHg at 25°C
• Boiling Point: 772.1°C at 760 mmHg
• Flash Point: 420.8°C
• PSA: 221.42000
• Density: 1.469g/cm³
• LogP: -1.01320
• Storage Temp.: −20°C
• XLogP3: -4.5
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 12
• Exact Mass: 377.08928575
• Heavy Atom Count: 25
• Complexity: 566

Purity/Quality:

99% ^*data from raw suppliers

S-Lactoylglutathione ≥90% (TLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C(=O)SCC(C(=O)NCC(=O)O)NC(=O)C(CCC(=O)O)N
• Isomeric SMILES: CC(=O)C(=O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N