Z-ASP(OME)-OH
- Iupac Name：(2S)-4-methoxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoic acid
- CAS No.: 3160-47-2
- Molecular Weight：281.264
- Modify Date.: 2022-11-29 11:12
- Introduction:
White powder
View more+
1. Names and Identifiers
- 1.1 Name
- Z-ASP(OME)-OH
- 1.2 Synonyms
(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid (S)-2-(Benzyloxycarbonylamino)-4-methoxy-4-oxobutyric acid (S)-2-BENZYLOXYCARBONYLAMINO-SUCCINIC ACID 4-METHYL ESTER (S)-2-N-CBZ-AMINO-SUCCINIC ACID 4-METHYL ESTER N-ALPHA-CARBOBENZOXY-L-ASPARATIC ACID BETA-METHYL ESTER N-BENZYLOXYCARBONYL-L-ASPARTIC ACID 4-METHYL ESTER N-CBZ-L-ASPARTIC ACID BETA-METHYL ESTER Z-ASP(OME)-OH
- 1.3 CAS No.
- 3160-47-2
- 1.4 CID
- 7014888
- 1.5 Molecular Formula
- C13H15NO6 (isomer)
- 1.6 Inchi
- InChI=1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17)/t10-/m0/s1
- 1.7 InChkey
- PHMBNDDHIBIDRQ-JTQLQIEISA-N
- 1.8 Canonical Smiles
- COC(=O)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1
- 1.9 Isomers Smiles
- COC(=O)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1
2. Properties
- 2.1 Density
- 1.304
- 2.1 Melting point
- 94-99°C
- 2.1 Boiling point
- 503.6 °C at 760 mmHg
- 2.1 Refractive index
- 1.539
- 2.1 Flash Point
- 258.3 °C
- 2.1 Precise Quality
- 281.09000
- 2.1 PSA
- 101.93000
- 2.1 logP
- 1.32000
- 2.1 Storage
- Keep Cold.
- 2.2 Chemical Properties
- White powder Z-ASP(OME)-OHSupplier
- 2.3 Color/Form
- White
- 2.4 pKa
- 3.63±0.23(Predicted)
- 2.5 StorageTemp
- −20°C
3. Safety and Handling
- 3.1 Safety Statements
- S22;S24/25
- 3.1 RIDADR
- NONH for all modes of transport
- 3.1 WGK Germany
- 3
4. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
5. Synthesis Route
3160-47-2Total: 9 Synthesis Route
7. Computational chemical data
- Molecular Weight: 281.264g/mol
- Molecular Formula: C13H15NO6
- Compound Is Canonicalized: True
- XLogP3-AA: 0.9
- Exact Mass: 281.08993720
- Monoisotopic Mass: 281.08993720
- Complexity: 351
- Rotatable Bond Count: 8
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Topological Polar Surface Area: 102
- Heavy Atom Count: 20
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjhmAYyCILABgCIAiDSGAACAAAgAAAIiIGICIkKJjqAMTiMcAAm1gEYqAfDwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
8. Recommended Suppliers
-
- Products:Chemical products
- Tel:86-571-88938639
- Email:sales-gc@dycnchem.com
-
- Products:Shanghai Forever Synthesis Co.,Ltd. is a professional chemical supplier for API, intermediates, fine chemicals, and customized synthesis.
- Tel:86-21-61124658
-
- Products:amino acids,biochemical,BB-2,MEX,AB-PIANCA,ect
- Tel:86-25-85057128
-
- Products:custom synthesis,Lab reagent,CRO,CMO,R&D research chemicals.such as CAS:4651-67-6;CAS:99-16-1;CAS:145100-50-1
- Tel:86-27-87465837
-
- Products:Pharmaceutical intermediates
- Tel:86-573-85280080
9. Realated Product Infomation
skype
12YRS
