acetic acid;phosphoric acid;propanoic acid

C5H13O8P — CID 162090044

IUPACacetic acid;phosphoric acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H6O2.C2H4O2.H3O4P/c1-2-3(4)5;1-2(3)4;1-5(2,3)4/h2H2,1H3,(H,4,5);1H3,(H,3,4);(H3,1,2,3,4)
InChIKeyZDMCYEBBDGVWGY-UHFFFAOYSA-N
MW232.12 g/mol
LogP-0.36
Rot. Bonds1

About acetic acid;phosphoric acid;propanoic acid

acetic acid;phosphoric acid;propanoic acid (PubChem CID 162090044) has the molecular formula C5H13O8P and a molecular weight of 232.12 g/mol. Its IUPAC name is acetic acid;phosphoric acid;propanoic acid.

Molecular Properties

Compound Nameacetic acid;phosphoric acid;propanoic acid
PubChem CID162090044
Molecular FormulaC5H13O8P
Molecular Weight232.12 g/mol
Exact Mass232.03
IUPAC Nameacetic acid;phosphoric acid;propanoic acid
SMILESCC(=O)O.CCC(=O)O.O=P(O)(O)O
InChIInChI=1S/C3H6O2.C2H4O2.H3O4P/c1-2-3(4)5;1-2(3)4;1-5(2,3)4/h2H2,1H3,(H,4,5);1H3,(H,3,4);(H3,1,2,3,4)
InChIKeyZDMCYEBBDGVWGY-UHFFFAOYSA-N
XLogP-0.36
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 5-0.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetic acid;phosphoric acid;propanoic acid?
The IUPAC name of acetic acid;phosphoric acid;propanoic acid (CID 162090044) is acetic acid;phosphoric acid;propanoic acid.
What is the SMILES notation for acetic acid;phosphoric acid;propanoic acid?
The canonical SMILES for acetic acid;phosphoric acid;propanoic acid is CC(=O)O.CCC(=O)O.O=P(O)(O)O.
What is the InChIKey of acetic acid;phosphoric acid;propanoic acid?
The InChIKey is ZDMCYEBBDGVWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O2.C2H4O2.H3O4P/c1-2-3(4)5;1-2(3)4;1-5(2,3)4/h2H2,1H3,(H,4,5);1H3,(H,3,4);(H3,1,2,3,4).
What are the key properties of acetic acid;phosphoric acid;propanoic acid?
acetic acid;phosphoric acid;propanoic acid has a molecular weight of 232.12 g/mol, XLogP of -0.36, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;phosphoric acid;propanoic acid is sourced from PubChem (CID 162090044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).