[hydroxy(methoxy)phosphoryl]methylphosphonic acid

C2H8O6P2 — CID 23415554

IUPAC[hydroxy(methoxy)phosphoryl]methylphosphonic acid
SMILESCOP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C2H8O6P2/c1-8-10(6,7)2-9(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)
InChIKeyIHDINDQBBKKDRV-UHFFFAOYSA-N
MW190.03 g/mol
LogP-0.05
Rot. Bonds3

About [hydroxy(methoxy)phosphoryl]methylphosphonic acid

[hydroxy(methoxy)phosphoryl]methylphosphonic acid (PubChem CID 23415554) has the molecular formula C2H8O6P2 and a molecular weight of 190.03 g/mol. Its IUPAC name is [hydroxy(methoxy)phosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[hydroxy(methoxy)phosphoryl]methylphosphonic acid
PubChem CID23415554
Molecular FormulaC2H8O6P2
Molecular Weight190.03 g/mol
Exact Mass189.98
IUPAC Name[hydroxy(methoxy)phosphoryl]methylphosphonic acid
SMILESCOP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C2H8O6P2/c1-8-10(6,7)2-9(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5)
InChIKeyIHDINDQBBKKDRV-UHFFFAOYSA-N
XLogP-0.05
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.03
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [hydroxy(methoxy)phosphoryl]methylphosphonic acid?
The IUPAC name of [hydroxy(methoxy)phosphoryl]methylphosphonic acid (CID 23415554) is [hydroxy(methoxy)phosphoryl]methylphosphonic acid.
What is the SMILES notation for [hydroxy(methoxy)phosphoryl]methylphosphonic acid?
The canonical SMILES for [hydroxy(methoxy)phosphoryl]methylphosphonic acid is COP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [hydroxy(methoxy)phosphoryl]methylphosphonic acid?
The InChIKey is IHDINDQBBKKDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O6P2/c1-8-10(6,7)2-9(3,4)5/h2H2,1H3,(H,6,7)(H2,3,4,5).
What are the key properties of [hydroxy(methoxy)phosphoryl]methylphosphonic acid?
[hydroxy(methoxy)phosphoryl]methylphosphonic acid has a molecular weight of 190.03 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methoxy)phosphoryl]methylphosphonic acid is sourced from PubChem (CID 23415554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).