(2S)-2-amino-5-[[amino-(tritylamino)methylidene]amino]pentanoic acid;hydrate
Basic information
- CAS
210824-10-5- Standard SMILES
N=C(NCCC[C@H](N)C(=O)O)NC(c1ccccc1)(c1ccccc1)c1ccccc1.O- InChIKey
JQJKTUVQNPFWIC-FTBISJDPSA-N- Molecular formula
- C25H30N4O3
- Average molar mass
- 434.5 g/mol
Names & identifiers
- Preferred name
- (2S)-2-amino-5-[[amino-(tritylamino)methylidene]amino]pentanoic acid;hydrate
- IUPAC
- (2S)-2-amino-5-[[amino-(tritylamino)methylidene]amino]pentanoic acid;hydrate
- English name
- L-Asparagine(trityl) H2O
- Molecular formula
- C25H30N4O3
- Molecular weight
- 434.53
Names & synonyms
L-Asparagine(trityl) H2ON'-TRITYL-L-ASPARAGINE HYDRATEN4-Trityl-L-asparagine (hydrate)(S)-2-Amino-4-oxo-4-(tritylamino)butanoic acid hydrate11(S)-2-amino-4-oxo-4-(triphenylmethylamino)butyric acid hydrate(2S)-2-amino-3-[(triphenylmethyl)carbamoyl]propanoic acid hydrate
Database identifiers
- CAS
210824-10-5
Properties
Computed structural properties
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 531
Physicochemical properties
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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Related reactions
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Compound notes
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