Basic information
- CAS
142565-25-1- Standard SMILES
COC(OC)[C@@H](O)CSC[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)NCC(=O)O- InChIKey
UVUSROHYPRFJQX-GUBZILKMSA-N- Molecular formula
- C15H27N3O9S
- Average molar mass
- 425.5 g/mol
- Monoisotopic mass
- 425.14680062
Overview
structure given in first source; RN given refers to the (R)-isomer
Names & identifiers
- Preferred name
- Glutathiolactaldehyde dimethylacetal
- IUPAC
- (4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2R)-2-hydroxy-3,3-dimethoxypropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- English name
- glutathiolactaldehyde dimethylacetal
- Molecular formula
- C15H27N3O9S
- Molecular weight
- 425.46
Names & synonyms
GladmaGlutathiolactaldehyde dimethylacetal142565-25-1DTXSID30162084N-(N-gamma-Glutamyl-S-(3,3-dimethoxy-2-hydroxypropyl)cysteinyl)glycineRefChem:143716DTXCID4084575Glycine, N-(N-L-gamma-glutamyl-S-(2-hydroxy-3,3-dimethoxypropyl)-L-cysteinyl)-, (R)-(4S)-4-amino-5-[[(2R)-1-(carboxymethylamino)-3-[(2R)-2-hydroxy-3,3-dimethoxypropyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acidL-alpha-Glutamyl-S-[(2R)-2-hydroxy-3,3-dimethoxypropyl]-L-cysteinylglycine
Database identifiers
- CAS
142565-25-1- PubChem CID
- 3083362
- DTXSID
DTXSID30162084
Properties
Computed structural properties
- XLogP
- -4.9
- Topological polar surface area
- 223 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 15
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- Boiling point
- 856.227 · 856.227±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.387 · 1.387±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 2.214 · 2.214±0.10(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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