Basic information
- CAS
4910-47-8- Standard SMILES
COC(=O)[C@H](CC(=O)O)NC(C)=O- InChIKey
KCNZNZZVMFPESV-YFKPBYRVSA-N- Molecular formula
- C7H11NO5
- Average molar mass
- 189.17 g/mol
Names & identifiers
- Preferred name
- Ac-asp-ome
- IUPAC
- (3S)-3-acetamido-4-methoxy-4-oxobutanoic acid
- English name
- Ac-Asp-OMe
- Molecular formula
- C7H11NO5
- Molecular weight
- 189.17
Names & synonyms
Ac-asp-ome4910-47-8(3S)-3-acetamido-4-methoxy-4-oxobutanoic acid(S)-3-acetamido-4-methoxy-4-oxobutanoic acidMFCD00080825(S)-3-acetamido-4-methoxy-4-oxobutanoicacidAcetyl-L-aspartic acid a-methyl esterAc-L-Asp-OmeN-acetyl-L-aspartic acid methyl esterAcetyl-L-aspartic acid alpha-methyl esterAC-ASPARTIC ACID-OME(3S)-3-acetamido-4-methoxy-4-oxo-butanoic Acid
Show more names
Acetyl-L-aspartic acid α-methyl esterL-Aspartic acid, N-acetyl-, 1-methyl esterN-ALPHA-ACETYL-L-ASPARTIC ACID METHYL ESTER
SCHEMBL2460543KCNZNZZVMFPESV-YFKPBYRVSA-NEOS-60809AKOS006275429AS-93706CS-0208585E82463F492755
Database identifiers
- CAS
4910-47-8- Nikkaji
- J1.143.116J
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 92.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 121 · 121-122 °C
- Boiling point
- 417.1 · 417.1±35.0 °C(Predicted)
- Density
- 1.273 · 1.273±0.06 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-5°C
- pka
- 3.96 · 3.96±0.19(Predicted)
- Appearance
- White to off-white Solid
Chemistry & industry
Suppliers14 total
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
德州博腾精细化工有限公司[email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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