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 |
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: | 92.7Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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