3-O-Octadecyl-1-O-tritylglycerol - CAS 86334-56-7

Catalog:	BB076444
Product Name:	3-O-Octadecyl-1-O-tritylglycerol
CAS:	86334-56-7
Synonyms:	1-(Octadecyloxy)-3-(triphenylmethoxy)-2-propanol;(RS)-1-O-Octadecyl-3-O-triphenylmethylglycerin;1-O-Octadecyl-3-O-tritylglycerol;1-Trityl-3-octadecylglycerol

Technical Data

IUPAC Name:	1-octadecoxy-3-trityloxypropan-2-ol
Description:	3-O-Octadecyl-1-O-tritylglycerol is an intermediate in the synthesis of 1-O-Octadecyl-2-O-benzyl-rac-glycerol (O235950), used in the synthesis of alkylphospholipids containing modifications of the phosphocholine moiety with antitumor activities. It is also used to prepare platelet activating factor (PAF) antagonists with modified phosphorylcholine moieties.
Molecular Weight:	586.90
Molecular Formula:	C40H58O3
Canonical SMILES:	CCCCCCCCCCCCCCCCCCOCC(COC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI:	InChI=1S/C40H58O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26-33-42-34-39(41)35-43-40(36-27-20-17-21-28-36,37-29-22-18-23-30-37)38-31-24-19-25-32-38/h17-25,27-32,39,41H,2-16,26,33-35H2,1H3
InChI Key:	WPDRLJPASQLFJY-UHFFFAOYSA-N
References:	Ukawa, K., et al. Chem. Pharma. Bull., 37, 1249 (1989); Rakatani, M., et al. J. Med. Chem., 32, 56 (1989); Inoue, K., et al. Eur. Pat. Appl. (1988), EP 255366 A2 19880203.

Complexity:	572
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	586.43859571
Formal Charge:	0
Heavy Atom Count:	43
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	586.43859571
Rotatable Bond Count:	25
Topological Polar Surface Area:	38.7Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	12.8