5-Methyl 3-(2-methyl-2-propanyl) (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate - CAS 670254-71-4
Catalog: |
BB053617 |
Product Name: |
5-Methyl 3-(2-methyl-2-propanyl) (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate |
CAS: |
670254-71-4 |
Synonyms: |
(4S,5R)-3-tert-butyl5-methyl2-(4-methoxyphenyl)-4-phenyloxazolidine-3,5-dicarboxylate |
IUPAC Name: | 3-O-tert-butyl 5-O-methyl (4S,5R)-2-(4-methoxyphenyl)-4-phenyl-1,3-oxazolidine-3,5-dicarboxylate |
Description: | 3-(1,1-Dimethylethyl) 5-Methyl (4S,5R)-2-(4-Methoxyphenyl)-4-phenyl-3,5-oxazolidinedicarboxylate is used in preparation of anti-tumor compound based on docetaxel side chain 2'-derivative. |
Molecular Weight: | 413.46 |
Molecular Formula: | C23H27NO6 |
Canonical SMILES: | CC(C)(C)OC(=O)N1C(C(OC1C2=CC=C(C=C2)OC)C(=O)OC)C3=CC=CC=C3 |
InChI: | InChI=1S/C23H27NO6/c1-23(2,3)30-22(26)24-18(15-9-7-6-8-10-15)19(21(25)28-5)29-20(24)16-11-13-17(27-4)14-12-16/h6-14,18-20H,1-5H3/t18-,19+,20?/m0/s1 |
InChI Key: | KPGOCVKHOGAOJE-ABZYKWASSA-N |
Boiling Point: | 527.1±50.0 °C at 760 mmHg |
Density: | 1.2±0.1 g/cm3 |
Complexity: | 589 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 413.18383758 |
Formal Charge: | 0 |
Heavy Atom Count: | 30 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 413.18383758 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 74.3 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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