Basic information
- CAS
16305-79-6- Standard SMILES
CC(O)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OCc1ccccc1- InChIKey
WMHMDYZXLLZIMG-FUBQLUNQSA-N- Molecular formula
- C21H24N2O6
- Average molar mass
- 400.4 g/mol
- Monoisotopic mass
- 400.16343649
Names & identifiers
- Preferred name
- Carbobenzyloxy-L-threonylglycine benzyl ester
- IUPAC
- benzyl 2-[[(2S)-3-hydroxy-2-(phenylmethoxycarbonylamino)butanoyl]amino]acetate
- English name
- Carbobenzyloxy-L-threonylglycine benzyl ester
- Molecular formula
- C21H24N2O6
- Molecular weight
- 400.43
Names & synonyms
CARBOBENZYLOXY-L-THREONYLGLYCINE BENZYL ESTERRefChem:57421716305-79-6660-570-7AKOS024434642Glycine, N-[N-[(phenylmethoxy)carbonyl]-L-threonyl]-, phenylmethyl ester (9CI)
Database identifiers
- CAS
16305-79-6- PubChem CID
- 45050567
- EC Number
- 660-570-7
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 529
Physicochemical properties
- Boiling point
- 635.8 · 635.8±55.0 °C(Predicted)
- Density
- 1.257 · 1.257±0.06 g/cm3(Predicted)
- pka
- 10.91 · 10.91±0.46(Predicted)
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 400 · H400
- Precautionary statements
- 273 · P273-P391-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.
GHS classification
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H400
- Precautionary statements
- P273-P391-P501
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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