p-Octylphenyl Phosphate - CAS 34332-94-0
Catalog: |
BB076436 |
Product Name: |
p-Octylphenyl Phosphate |
CAS: |
34332-94-0 |
Synonyms: |
p-Octyl-phenol Dihydrogen Phosphate; Mono-p-octylphenyl Dihydrogen Phosphate; 4-Octyl-phenol Dihydrogen Phosphate |
IUPAC Name: | (4-octylphenyl) dihydrogen phosphate |
Description: | p-Octylphenyl Phosphate is used in the study of structural features important in recognition by estrone sulfatase. |
Molecular Weight: | 286.3 |
Molecular Formula: | C14H23O4P |
Canonical SMILES: | CCCCCCCCC1=CC=C(C=C1)OP(=O)(O)O |
InChI: | InChI=1S/C14H23O4P/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)18-19(15,16)17/h9-12H,2-8H2,1H3,(H2,15,16,17) |
InChI Key: | LCQIKBDZONOEOA-UHFFFAOYSA-N |
References: | Anderson, C., et al. Biochem., 36, 2586 (1997). |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.13339621 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.13339621 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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