ethane;formic acid;phosphoric acid

C3H14O10P2 — CID 175156015

IUPACethane;formic acid;phosphoric acid
SMILESCC.O=CO.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C2H6.CH2O2.2H3O4P/c1-2;2-1-3;2*1-5(2,3)4/h1-2H3;1H,(H,2,3);2*(H3,1,2,3,4)
InChIKeyAYIJHUSJIHZLNF-UHFFFAOYSA-N
MW272.08 g/mol
LogP-1.13
Rot. Bonds

About ethane;formic acid;phosphoric acid

ethane;formic acid;phosphoric acid (PubChem CID 175156015) has the molecular formula C3H14O10P2 and a molecular weight of 272.08 g/mol. Its IUPAC name is ethane;formic acid;phosphoric acid.

Molecular Properties

Compound Nameethane;formic acid;phosphoric acid
PubChem CID175156015
Molecular FormulaC3H14O10P2
Molecular Weight272.08 g/mol
Exact Mass272.01
IUPAC Nameethane;formic acid;phosphoric acid
SMILESCC.O=CO.O=P(O)(O)O.O=P(O)(O)O
InChIInChI=1S/C2H6.CH2O2.2H3O4P/c1-2;2-1-3;2*1-5(2,3)4/h1-2H3;1H,(H,2,3);2*(H3,1,2,3,4)
InChIKeyAYIJHUSJIHZLNF-UHFFFAOYSA-N
XLogP-1.13
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.08
LogP ≤ 5-1.13
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;phosphoric acid?
The IUPAC name of ethane;formic acid;phosphoric acid (CID 175156015) is ethane;formic acid;phosphoric acid.
What is the SMILES notation for ethane;formic acid;phosphoric acid?
The canonical SMILES for ethane;formic acid;phosphoric acid is CC.O=CO.O=P(O)(O)O.O=P(O)(O)O.
What is the InChIKey of ethane;formic acid;phosphoric acid?
The InChIKey is AYIJHUSJIHZLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CH2O2.2H3O4P/c1-2;2-1-3;2*1-5(2,3)4/h1-2H3;1H,(H,2,3);2*(H3,1,2,3,4).
What are the key properties of ethane;formic acid;phosphoric acid?
ethane;formic acid;phosphoric acid has a molecular weight of 272.08 g/mol, XLogP of -1.13, 0 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;phosphoric acid is sourced from PubChem (CID 175156015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).