oxaldehydic acid;phosphoric acid

C2H5O7P — CID 161389522

IUPACoxaldehydic acid;phosphoric acid
SMILESO=CC(=O)O.O=P(O)(O)O
InChIInChI=1S/C2H2O3.H3O4P/c3-1-2(4)5;1-5(2,3)4/h1H,(H,4,5);(H3,1,2,3,4)
InChIKeyVSUKCMMDGQIZQR-UHFFFAOYSA-N
MW172.03 g/mol
LogP-1.66
Rot. Bonds1

About oxaldehydic acid;phosphoric acid

oxaldehydic acid;phosphoric acid (PubChem CID 161389522) has the molecular formula C2H5O7P and a molecular weight of 172.03 g/mol. Its IUPAC name is oxaldehydic acid;phosphoric acid.

Molecular Properties

Compound Nameoxaldehydic acid;phosphoric acid
PubChem CID161389522
Molecular FormulaC2H5O7P
Molecular Weight172.03 g/mol
Exact Mass171.98
IUPAC Nameoxaldehydic acid;phosphoric acid
SMILESO=CC(=O)O.O=P(O)(O)O
InChIInChI=1S/C2H2O3.H3O4P/c3-1-2(4)5;1-5(2,3)4/h1H,(H,4,5);(H3,1,2,3,4)
InChIKeyVSUKCMMDGQIZQR-UHFFFAOYSA-N
XLogP-1.66
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.03
LogP ≤ 5-1.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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pentacalcium;carbonic acid;hydride;phosphoric acid;dihydrate
CID 174918708
potassium;formic acid;hydride;phosphoric acid
CID 174853658
sodium;carbonic acid;hydride;iron;phosphoric acid
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Frequently Asked Questions

What is the IUPAC name of oxaldehydic acid;phosphoric acid?
The IUPAC name of oxaldehydic acid;phosphoric acid (CID 161389522) is oxaldehydic acid;phosphoric acid.
What is the SMILES notation for oxaldehydic acid;phosphoric acid?
The canonical SMILES for oxaldehydic acid;phosphoric acid is O=CC(=O)O.O=P(O)(O)O.
What is the InChIKey of oxaldehydic acid;phosphoric acid?
The InChIKey is VSUKCMMDGQIZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2O3.H3O4P/c3-1-2(4)5;1-5(2,3)4/h1H,(H,4,5);(H3,1,2,3,4).
What are the key properties of oxaldehydic acid;phosphoric acid?
oxaldehydic acid;phosphoric acid has a molecular weight of 172.03 g/mol, XLogP of -1.66, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxaldehydic acid;phosphoric acid is sourced from PubChem (CID 161389522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).