2-Cyanoethyl phosphate barium salt - CAS 5015-38-3
Catalog: |
BB026937 |
Product Name: |
2-Cyanoethyl phosphate barium salt |
CAS: |
5015-38-3 |
Synonyms: |
Propanenitrile, 3-(phosphonooxy)-, barium salt (1:1); Hydracrylonitrile, dihydrogen phosphate (ester), barium salt (1:1); Barium 2-cyanoethyl phosphate; Barium β-cyanoethyl phosphate |
Related CAS: | 2212-88-6 (free base) 207121-42-4 (x-hydrate) 303137-03-3 (monohydrate) 176247-01-1 (dihydrate) 860389-90-8 (Deleted CAS)
|
IUPAC Name: | barium(2+);2-cyanoethyl phosphate |
Description: | A phosphorylating agent with a protecting group sensitive to mild alkali, useful as an intermediate in the synthesis of nucleotides. |
Molecular Weight: | 286.37 |
Molecular Formula: | C3H4BaNO4P |
Canonical SMILES: | C(COP(=O)([O-])[O-])C#N.[Ba+2] |
InChI: | InChI=1S/C3H6NO4P.Ba/c4-2-1-3-8-9(5,6)7;/h1,3H2,(H2,5,6,7);/q;+2/p-2 |
InChI Key: | MRQIDZJGQMWVQR-UHFFFAOYSA-L |
Melting Point: | >300°C |
Purity: | ≥95% |
Storage: | Store at -20°C |
LogP: | 0.88578 |
GHS Hazard Statement: | H302 (97.44%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P301+P312, P304+P312, P304+P340, P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
JP-2016500645-A | Printing method | 20121031 |
JP-6353455-B2 | Printing method | 20121031 |
CA-2715480-A1 | Method for preparing nucleotides and related analogues by synthesis on soluble substrate, and biological tools thus prepared | 20080221 |
EP-2265624-A1 | Method for preparing nucleotides and related analogues by synthesis on soluble substrate, and biological tools thus prepared | 20080221 |
FR-2927901-A1 | PROCESS FOR THE PREPARATION OF NUCLEOTIDES AND ANALOGUES SUCH AS SYNTHESIS ON SOLUBLE CARRIER AND PREPARED BIOLOGICAL TOOLS | 20080221 |
PMID | Publication Date | Title | Journal |
12393053 | 20021018 | Ceramide 1-(2-cyanoethyl) phosphate enhances store-operated Ca2+ entry in thyroid FRTL-5 cells | European journal of pharmacology |
Complexity: | 152 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.893042 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.893042 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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