Bis(2- butoxyethyl) 2- (3- Hydroxybutoxy) ethyl Phosphate Triester - CAS 1477494-87-3

Catalog:	BB073170
Product Name:	Bis(2- butoxyethyl) 2- (3- Hydroxybutoxy) ethyl Phosphate Triester
CAS:	1477494-87-3
Synonyms:	Bis(2- butoxyethyl) 2- (3- hydroxybutoxy) ethyl ester Phosphoric Acid

Technical Data

IUPAC Name:	bis(2-butoxyethyl) 2-(3-hydroxybutoxy)ethyl phosphate
Description:	Bis(2- butoxyethyl) 2- (3- Hydroxybutoxy) ethyl Phosphate Triester is derived from 2-Butoxyethanol (B692895), which is a reagent in the synthesis of 4-butoxyethoxy-N-octadecyl-1,8-naphthalimide as a new fluorescent probe for the determination of proteins. Also used as a reagent in the synthesis of 4-hydroxybenzaldehyde derivatives as tyrosinase inhibitors.
Molecular Weight:	414.47
Molecular Formula:	C18H39O8P
Canonical SMILES:	CCCCOCCOP(=O)(OCCOCCCC)OCCOCCC(C)O
InChI:	InChI=1S/C18H39O8P/c1-4-6-9-21-12-15-24-27(20,25-16-13-22-10-7-5-2)26-17-14-23-11-8-18(3)19/h18-19H,4-17H2,1-3H3
InChI Key:	ZYWDPVGRFHQPGL-UHFFFAOYSA-N
Solubility:	Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Colourless to Pale Yellow Oil
Storage:	4°C, Hygroscopic
References:	Sun, Y., et al. Bioorg. Med. Chem. Lett., 21, 3798 (2011); Yi, W., et al. Eur. J. Med. Chem., 45, 639 (2010).

Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	414.2382552
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	414.2382552
Rotatable Bond Count:	21
Topological Polar Surface Area:	92.7Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7