methoxy(phosphonooxy)borinic acid

CH6BO6P — CID 87535346

IUPACmethoxy(phosphonooxy)borinic acid
SMILESCOB(O)OP(=O)(O)O
InChIInChI=1S/CH6BO6P/c1-7-2(3)8-9(4,5)6/h3H,1H3,(H2,4,5,6)
InChIKeyABEAGJKQVQXIIF-UHFFFAOYSA-N
MW155.84 g/mol
LogP-1.28
Rot. Bonds3

About methoxy(phosphonooxy)borinic acid

methoxy(phosphonooxy)borinic acid (PubChem CID 87535346) has the molecular formula CH6BO6P and a molecular weight of 155.84 g/mol. Its IUPAC name is methoxy(phosphonooxy)borinic acid.

Molecular Properties

Compound Namemethoxy(phosphonooxy)borinic acid
PubChem CID87535346
Molecular FormulaCH6BO6P
Molecular Weight155.84 g/mol
Exact Mass156.00
IUPAC Namemethoxy(phosphonooxy)borinic acid
SMILESCOB(O)OP(=O)(O)O
InChIInChI=1S/CH6BO6P/c1-7-2(3)8-9(4,5)6/h3H,1H3,(H2,4,5,6)
InChIKeyABEAGJKQVQXIIF-UHFFFAOYSA-N
XLogP-1.28
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.84
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methoxy(phosphonooxy)borinic acid?
The IUPAC name of methoxy(phosphonooxy)borinic acid (CID 87535346) is methoxy(phosphonooxy)borinic acid.
What is the SMILES notation for methoxy(phosphonooxy)borinic acid?
The canonical SMILES for methoxy(phosphonooxy)borinic acid is COB(O)OP(=O)(O)O.
What is the InChIKey of methoxy(phosphonooxy)borinic acid?
The InChIKey is ABEAGJKQVQXIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6BO6P/c1-7-2(3)8-9(4,5)6/h3H,1H3,(H2,4,5,6).
What are the key properties of methoxy(phosphonooxy)borinic acid?
methoxy(phosphonooxy)borinic acid has a molecular weight of 155.84 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(phosphonooxy)borinic acid is sourced from PubChem (CID 87535346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).