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

Technical Data

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