S-(1-Phenyl-2-hydroxyethyl)glutathione

Base Information

• Chemical Name: S-(1-Phenyl-2-hydroxyethyl)glutathione
• CAS No.: 64186-97-6
• Molecular Formula: C18H25 N3 O7 S
• Molecular Weight: 427.47
• DSSTox Substance ID: DTXSID20982718
• Nikkaji Number: J390.308G
• Mol file: 64186-97-6.mol

Synonyms:1-PHEG;S-(1-phenyl-2-hydroxyethyl)glutathione

Chemical Property of S-(1-Phenyl-2-hydroxyethyl)glutathione

Chemical Property:

• Vapor Pressure: 7.18E-31mmHg at 25°C
• Boiling Point: 851.8°C at 760 mmHg
• PKA: 2.21±0.10(Predicted)
• Flash Point: 468.9°C
• PSA: 211.33000
• Density: 1.401g/cm³
• LogP: 1.71180
• XLogP3: -3.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 13
• Exact Mass: 427.14132132
• Heavy Atom Count: 29
• Complexity: 570

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
• Isomeric SMILES: C1=CC=C(C=C1)C(CO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

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