2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid

C4H12O5P2 — CID 23533249

IUPAC2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid
SMILESC=P(O)(O)C(C)(C)P(=O)(O)O
InChIInChI=1S/C4H12O5P2/c1-4(2,10(3,5)6)11(7,8)9/h5-6H,3H2,1-2H3,(H2,7,8,9)
InChIKeyLJUNBODOJDPHQO-UHFFFAOYSA-N
MW202.08 g/mol
LogP0.16
Rot. Bonds2

About 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid

2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid (PubChem CID 23533249) has the molecular formula C4H12O5P2 and a molecular weight of 202.08 g/mol. Its IUPAC name is 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid.

Molecular Properties

Compound Name2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid
PubChem CID23533249
Molecular FormulaC4H12O5P2
Molecular Weight202.08 g/mol
Exact Mass202.02
IUPAC Name2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid
SMILESC=P(O)(O)C(C)(C)P(=O)(O)O
InChIInChI=1S/C4H12O5P2/c1-4(2,10(3,5)6)11(7,8)9/h5-6H,3H2,1-2H3,(H2,7,8,9)
InChIKeyLJUNBODOJDPHQO-UHFFFAOYSA-N
XLogP0.16
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.08
LogP ≤ 50.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoroethylphosphonic acid
CID 23183684
dimethylphosphinic acid;ethene
CID 159258868
bis(dimethylphosphinic acid);platinum
CID 58918492
methylphosphonic acid;uranium
CID 174844261
methylphosphonic acid;dihydrochloride
CID 87344491
trisodium;hydride;(1-hydroxy-1-phosphonoethyl)phosphonic acid
CID 173043131
butane-2,2,3,3-tetrol;phosphoric acid
CID 172831212
dihydroxy-methyl-methylidene-λ5-phosphane
CID 18339287
(2,4-dihydroxy-4-phosphonopentan-2-yl)phosphonic acid
CID 14325355
bis(2-(hydroxymethyl)-2-methylpropane-1,3-diol);methylphosphonic acid
CID 158046425
ditert-butylphosphinic acid;hydrochloride
CID 175112016
sodium;carbanide;methylphosphonic acid
CID 157106296

Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid?
The IUPAC name of 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid (CID 23533249) is 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid.
What is the SMILES notation for 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid?
The canonical SMILES for 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid is C=P(O)(O)C(C)(C)P(=O)(O)O.
What is the InChIKey of 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid?
The InChIKey is LJUNBODOJDPHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12O5P2/c1-4(2,10(3,5)6)11(7,8)9/h5-6H,3H2,1-2H3,(H2,7,8,9).
What are the key properties of 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid?
2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid has a molecular weight of 202.08 g/mol, XLogP of 0.16, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methylidene)-λ5-phosphanyl]propan-2-ylphosphonic acid is sourced from PubChem (CID 23533249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).