(2-hydroxy-1-phosphonocyclobutyl)phosphonic acid

C4H10O7P2 — CID 19821560

IUPAC(2-hydroxy-1-phosphonocyclobutyl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CCC1O
InChIInChI=1S/C4H10O7P2/c5-3-1-2-4(3,12(6,7)8)13(9,10)11/h3,5H,1-2H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyRATFJCMPKQIQAZ-UHFFFAOYSA-N
MW232.06 g/mol
LogP-0.81
Rot. Bonds2

About (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid

(2-hydroxy-1-phosphonocyclobutyl)phosphonic acid (PubChem CID 19821560) has the molecular formula C4H10O7P2 and a molecular weight of 232.06 g/mol. Its IUPAC name is (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid.

Molecular Properties

Compound Name(2-hydroxy-1-phosphonocyclobutyl)phosphonic acid
PubChem CID19821560
Molecular FormulaC4H10O7P2
Molecular Weight232.06 g/mol
Exact Mass231.99
IUPAC Name(2-hydroxy-1-phosphonocyclobutyl)phosphonic acid
SMILESO=P(O)(O)C1(P(=O)(O)O)CCC1O
InChIInChI=1S/C4H10O7P2/c5-3-1-2-4(3,12(6,7)8)13(9,10)11/h3,5H,1-2H2,(H2,6,7,8)(H2,9,10,11)
InChIKeyRATFJCMPKQIQAZ-UHFFFAOYSA-N
XLogP-0.81
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.06
LogP ≤ 5-0.81
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-hydroxy-1-phosphonocyclobutyl)phosphonic 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 (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid?
The IUPAC name of (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid (CID 19821560) is (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid.
What is the SMILES notation for (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid?
The canonical SMILES for (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid is O=P(O)(O)C1(P(=O)(O)O)CCC1O.
What is the InChIKey of (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid?
The InChIKey is RATFJCMPKQIQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O7P2/c5-3-1-2-4(3,12(6,7)8)13(9,10)11/h3,5H,1-2H2,(H2,6,7,8)(H2,9,10,11).
What are the key properties of (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid?
(2-hydroxy-1-phosphonocyclobutyl)phosphonic acid has a molecular weight of 232.06 g/mol, XLogP of -0.81, 2 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-1-phosphonocyclobutyl)phosphonic acid is sourced from PubChem (CID 19821560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).