bis(dihydroxyphosphanyl) oxalate

C2H4O8P2 — CID 174290415

IUPACbis(dihydroxyphosphanyl) oxalate
SMILESO=C(OP(O)O)C(=O)OP(O)O
InChIInChI=1S/C2H4O8P2/c3-1(9-11(5)6)2(4)10-12(7)8/h5-8H
InChIKeyZLSRFYJHSGLVJM-UHFFFAOYSA-N
MW217.99 g/mol
LogP-1.50
Rot. Bonds2

About bis(dihydroxyphosphanyl) oxalate

bis(dihydroxyphosphanyl) oxalate (PubChem CID 174290415) has the molecular formula C2H4O8P2 and a molecular weight of 217.99 g/mol. Its IUPAC name is bis(dihydroxyphosphanyl) oxalate.

Molecular Properties

Compound Namebis(dihydroxyphosphanyl) oxalate
PubChem CID174290415
Molecular FormulaC2H4O8P2
Molecular Weight217.99 g/mol
Exact Mass217.94
IUPAC Namebis(dihydroxyphosphanyl) oxalate
SMILESO=C(OP(O)O)C(=O)OP(O)O
InChIInChI=1S/C2H4O8P2/c3-1(9-11(5)6)2(4)10-12(7)8/h5-8H
InChIKeyZLSRFYJHSGLVJM-UHFFFAOYSA-N
XLogP-1.50
TPSA133.52 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.99
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(dihydroxyphosphanyl) oxalate?
The IUPAC name of bis(dihydroxyphosphanyl) oxalate (CID 174290415) is bis(dihydroxyphosphanyl) oxalate.
What is the SMILES notation for bis(dihydroxyphosphanyl) oxalate?
The canonical SMILES for bis(dihydroxyphosphanyl) oxalate is O=C(OP(O)O)C(=O)OP(O)O.
What is the InChIKey of bis(dihydroxyphosphanyl) oxalate?
The InChIKey is ZLSRFYJHSGLVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O8P2/c3-1(9-11(5)6)2(4)10-12(7)8/h5-8H.
What are the key properties of bis(dihydroxyphosphanyl) oxalate?
bis(dihydroxyphosphanyl) oxalate has a molecular weight of 217.99 g/mol, XLogP of -1.50, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dihydroxyphosphanyl) oxalate is sourced from PubChem (CID 174290415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).