Basic information
- CAS
13188-89-1- Standard SMILES
NC(CC(=O)OCc1ccccc1)C(=O)O- InChIKey
VGALFAWDSNRXJK-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
- Monoisotopic mass
- 223.0844579
Names & identifiers
- Preferred name
- 2-Amino-4-(benzyloxy)-4-oxobutanoic acid
- IUPAC
- 2-amino-4-oxo-4-phenylmethoxybutanoic acid
- English name
- H-D-Asp(OBzl)-OH
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
2-amino-4-(benzyloxy)-4-oxobutanoic acid63228-51-32-amino-4-oxo-4-phenylmethoxybutanoic acidD-Aspartic acid beta-benzyl esterL-Aspartic acid b-benzyl esterNSC-524167L-Aspartic acid, 4-(phenylmethyl) esterNSC5241672-amino-4-benzyloxy-4-oxo-butanoic acidbeta-benzyl-D-aspartatebeta-Benzyl-l-aspartate.beta.-Benzyl L-aspartate
Show more names
(R)-2-Amino-4-(benzyloxy)-4-oxobutanoic acidD-Asp(OBzl)-OHH-D-Asp(OBzl)-OHD-ASPARTIC ACID(OBZL)-OHH-D-ASP(OBZL)-OH USP/EP/BPD-ASPARTIC ACID-B-BENZYLESTERD-Aspartic acid β-benzyl esterD-ASPARTIC ACID 4-BENZYL ESTERD-Aspartic acid, 4-(phenylmethyl) ester
.beta.-l-Benzyl aspartateD-Aspartic acid b-benzyl esterSCHEMBL4523936L-Aspartic-.beta.-benzyl esterDTXSID50326126STR08353L-Aspartic acid-.beta.-benzyl esterL-Aspartic acid ß-benzyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- -2
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Physicochemical properties
- Boiling point
- 413.1 · 413.1±45.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- pka
- 2.16 · 2.16±0.23(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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-P305+P351+P338
Chemistry & industry
Applications
UsesH-D-ASP(OBZL)-OH is a useful intermediate for the synthesis and studies of bacitracin and bacitracin analogs.
Suppliers71 total
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
宁波亿诺化学品有限公司86-574-27787657 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
常州希辰曦生物科技有限公司13961235446 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司
Related reactions
5 records
Compound notes
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