[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid

C2H9O9P3 — CID 20724708

IUPAC[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid
SMILESCOP(=O)(O)OP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C2H9O9P3/c1-10-14(8,9)11-13(6,7)2-12(3,4)5/h2H2,1H3,(H,6,7)(H,8,9)(H2,3,4,5)
InChIKeyHDRLTVPPOAGWCL-UHFFFAOYSA-N
MW270.01 g/mol
LogP0.07
Rot. Bonds5

About [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid

[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid (PubChem CID 20724708) has the molecular formula C2H9O9P3 and a molecular weight of 270.01 g/mol. Its IUPAC name is [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid.

Molecular Properties

Compound Name[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid
PubChem CID20724708
Molecular FormulaC2H9O9P3
Molecular Weight270.01 g/mol
Exact Mass269.95
IUPAC Name[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid
SMILESCOP(=O)(O)OP(=O)(O)CP(=O)(O)O
InChIInChI=1S/C2H9O9P3/c1-10-14(8,9)11-13(6,7)2-12(3,4)5/h2H2,1H3,(H,6,7)(H,8,9)(H2,3,4,5)
InChIKeyHDRLTVPPOAGWCL-UHFFFAOYSA-N
XLogP0.07
TPSA150.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.01
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid?
The IUPAC name of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid (CID 20724708) is [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid.
What is the SMILES notation for [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid?
The canonical SMILES for [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid is COP(=O)(O)OP(=O)(O)CP(=O)(O)O.
What is the InChIKey of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid?
The InChIKey is HDRLTVPPOAGWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9O9P3/c1-10-14(8,9)11-13(6,7)2-12(3,4)5/h2H2,1H3,(H,6,7)(H,8,9)(H2,3,4,5).
What are the key properties of [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid?
[hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid has a molecular weight of 270.01 g/mol, XLogP of 0.07, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy-[hydroxy(methoxy)phosphoryl]oxyphosphoryl]methylphosphonic acid is sourced from PubChem (CID 20724708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).