Basic information
- CAS
159107-42-3- Standard SMILES
CC(C(=O)O)C(NC(=O)OC(C)(C)C)C(=O)O- InChIKey
HMBGLGONPRHXGP-UHFFFAOYSA-N- Molecular formula
- C10H17NO6
- Average molar mass
- 247.24 g/mol
Names & identifiers
- Preferred name
- Boc-threo-beta-methyl-DL-aspartic acid
- IUPAC
- 2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid
- English name
- Boc-threo-beta-methyl-DL-aspartic acid
- Molecular formula
- C10H17NO6
- Molecular weight
- 247.25
Names & synonyms
Boc-threo-beta-methyl-DL-aspartic acid159107-42-32-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioic acid2-((tert-butoxycarbonyl)amino)-3-methylsuccinic acidAspartic acid, N-[(1,1-dimethylethoxy)carbonyl]-3-methyl-
Database identifiers
- CAS
159107-42-3
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 319
Physicochemical properties
- Boiling point
- 382.4 · 382.4±32.0 °C(Predicted)
- Density
- 1.261 · 1.261±0.06 g/cm3(Predicted)
- pka
- 3.79 · 3.79±0.25(Predicted)
- HazardClass
- IRRITANT
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
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
南京椒宁医药科技有限公司025-52388076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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