3,3-diphosphorosopropanoic acid

C3H4O4P2 — CID 20734029

IUPAC3,3-diphosphorosopropanoic acid
SMILESO=PC(CC(=O)O)P=O
InChIInChI=1S/C3H4O4P2/c4-2(5)1-3(8-6)9-7/h3H,1H2,(H,4,5)
InChIKeyHWBVDVFQTLKPSQ-UHFFFAOYSA-N
MW166.01 g/mol
LogP1.37
Rot. Bonds4

About 3,3-diphosphorosopropanoic acid

3,3-diphosphorosopropanoic acid (PubChem CID 20734029) has the molecular formula C3H4O4P2 and a molecular weight of 166.01 g/mol. Its IUPAC name is 3,3-diphosphorosopropanoic acid.

Molecular Properties

Compound Name3,3-diphosphorosopropanoic acid
PubChem CID20734029
Molecular FormulaC3H4O4P2
Molecular Weight166.01 g/mol
Exact Mass165.96
IUPAC Name3,3-diphosphorosopropanoic acid
SMILESO=PC(CC(=O)O)P=O
InChIInChI=1S/C3H4O4P2/c4-2(5)1-3(8-6)9-7/h3H,1H2,(H,4,5)
InChIKeyHWBVDVFQTLKPSQ-UHFFFAOYSA-N
XLogP1.37
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.01
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
3-phosphorosopentanoic acid
CID 87252441
3-methylbutanoic acid
CID 20849036
3,4-bis(carboxymethyl)heptanedioic acid
CID 139673912
argon;3-methylbutanoic acid
CID 158006921
CID 87948469
CID 87948469
3-hydroxy-4-methylsulfanylbutanoic acid
CID 82771148
3-(carboxymethoxy)-3-hydroxypropanoic acid
CID 173213514
3-[2-(1-carboxypropan-2-yloxy)ethoxy]butanoic acid
CID 139938687
dihydroxy(oxo)phosphanium;3-hydroxybutanoic acid
CID 87534592
3-bromo-3-fluoropropanoic acid
CID 10986714
2-hydroxybutanedioic acid;iron
CID 174146167

Frequently Asked Questions

What is the IUPAC name of 3,3-diphosphorosopropanoic acid?
The IUPAC name of 3,3-diphosphorosopropanoic acid (CID 20734029) is 3,3-diphosphorosopropanoic acid.
What is the SMILES notation for 3,3-diphosphorosopropanoic acid?
The canonical SMILES for 3,3-diphosphorosopropanoic acid is O=PC(CC(=O)O)P=O.
What is the InChIKey of 3,3-diphosphorosopropanoic acid?
The InChIKey is HWBVDVFQTLKPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4P2/c4-2(5)1-3(8-6)9-7/h3H,1H2,(H,4,5).
What are the key properties of 3,3-diphosphorosopropanoic acid?
3,3-diphosphorosopropanoic acid has a molecular weight of 166.01 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphosphorosopropanoic acid is sourced from PubChem (CID 20734029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).