(2S, 4R, 5S) -2- (4- Methoxyphenyl) - 4- phenyl- 3, 5- Oxazolidinedicarboxy lic Acid - CAS 870133-54-3
Catalog: |
BB060109 |
Product Name: |
(2S, 4R, 5S) -2- (4- Methoxyphenyl) - 4- phenyl- 3, 5- Oxazolidinedicarboxy lic Acid |
CAS: |
870133-54-3 |
Synonyms: |
(2S,4R,5S)-2-(4-Methoxyphenyl)-4-phenyl-3,5-Oxazolidinedicarboxylic Acid |
IUPAC Name: | (2S,4R,5S)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylic acid |
Description: | (2S, 4R, 5S) -2- (4- Methoxyphenyl) - 4- phenyl- 3, 5- Oxazolidinedicarboxy lic Acid is a reactant used in the synthesis of steroidal compounds which act as mimics of taxoids. |
Molecular Weight: | 399.44 |
Molecular Formula: | C22H25NO6 |
Canonical SMILES: | COC1=CC=C(C=C1)C2N(C(C(O2)C(=O)O)C3=CC=CC=C3)C(=O)O |
InChI: | InChI=1S/C18H17NO6/c1-24-13-9-7-12(8-10-13)16-19(18(22)23)14(15(25-16)17(20)21)11-5-3-2-4-6-11/h2-10,14-16H,1H3,(H,20,21)(H,22,23)/t14-,15+,16+/m1/s1 |
InChI Key: | DKJDAKKXGXBQKX-PMPSAXMXSA-N |
References: | Roussi, F. et al. Eur. J. Org. Chem., 3952 (2005). |
Complexity: | 484 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 3 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 343.10558726 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 343.10558726 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 96.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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