5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-Oxide - CAS 231280-23-2
Catalog: |
BB067779 |
Product Name: |
5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-Oxide |
CAS: |
231280-23-2 |
Synonyms: |
5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-Oxide; 5,5-dimethoxy-2-phenoxy-1,3,2lambda5-dioxaphosphinane 2-oxide; 5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphinane 2-oxide; 2-Phenoxy-5,5-dimethoxy-1,3,2-dioxaphosphorinane 2-oxide |
IUPAC Name: | 5,5-dimethoxy-2-phenoxy-1,3,2λ5-dioxaphosphinane 2-oxide |
Description: | 5,5-Dimethoxy-2-phenoxy-1,3,2-dioxaphosphorinane 2-Oxide is an intermediate in the synthesis of Hydroxypyruvic Aicd Phosphate (H953190), one of the essential metabolite for microbial growth. |
Molecular Weight: | 274.21 |
Molecular Formula: | C11H15O6P |
Canonical SMILES: | COC1(COP(=O)(OC1)OC2=CC=CC=C2)OC |
InChI: | InChI=1S/C11H15O6P/c1-13-11(14-2)8-15-18(12,16-9-11)17-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3 |
InChI Key: | JJOHPDFSXRTKJQ-UHFFFAOYSA-N |
Solubility: | DCM, Methanol |
Appearance: | Off-white Powder |
References: | Harvey, D.J., et al. J. Chromatograph., 76, 51 (1973). |
Complexity: | 297 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.06062519 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.06062519 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 63.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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