Basic information
- CAS
158830-39-8- Standard SMILES
COC(=O)[C@@H](O)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1- InChIKey
NCALQERIBRYGOK-RYUDHWBXSA-N- Molecular formula
- C15H21NO5
- Average molar mass
- 295.33 g/mol
- Monoisotopic mass
- 295.14197277
Names & identifiers
- Preferred name
- methyl (2S,3S)-3-t-butoxycarbonylamino-3-phenyl-2-hydroxypropionate
- IUPAC
- methyl (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
- English name
- (2S,3S)-methyl 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropanoate
- Molecular formula
- C15H21NO5
- Molecular weight
- 295.33
Names & synonyms
158830-39-8methyl (2S,3S)-3-t-butoxycarbonylamino-3-phenyl-2-hydroxypropionate(2S,3S)-methyl 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropanoatemethyl (2S,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoateBenzenepropanoic acid, beta-[[(1,1-dimethylethoxy)carbonyl]amino]-alpha-hydroxy-, methyl ester, (alphaS,betaS)-(S) Dedimethoxy-10-deacetylbaccatin III CabazitaxelNCALQERIBRYGOK-RYUDHWBXSA-Nmethyl (2S,3S)-2-hydroxy-3-(N-tert-butoxycarbonylamino)-3-phenylpropanoateDB-213738H63286(2S,3S)-methyl3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropanoateCabazitaxel Impurity 46
Show more names
Methyl (2S,3S)-N-Boc-3-Phenylisoserin hydrochlorideMethyl (2S,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoateBenzenepropanoic acid, β-[[(1,1-dimethylethoxy)carbonyl]amino]-α-hydroxy-, methyl ester, (αS,βS)-
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 358
Physicochemical properties
- Boiling point
- 443.3 · 443.3±45.0 °C(Predicted)
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 11.22 · 11.22±0.46(Predicted)
Chemistry & industry
Suppliers18 total
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
上海科斯克尔医药科技有限公司00000000 15021108835 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海尺水药物研究有限公司[email protected] 13564957716 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
Related reactions
2 records
Compound notes
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