CID 175884329

C5H4K2O5 — CID 175884329

IUPAC—
SMILESO=C1C(=O)C(O)C(O)C1=O.[K].[K]
InChIInChI=1S/C5H4O5.2K/c6-1-2(7)4(9)5(10)3(1)8;;/h1-2,6-7H;;
InChIKeyNITHKNWCMAZMDC-UHFFFAOYSA-N
MW222.28 g/mol
LogP-3.33
Rot. Bonds

About CID 175884329

CID 175884329 (PubChem CID 175884329) has the molecular formula C5H4K2O5 and a molecular weight of 222.28 g/mol.

Molecular Properties

Compound NameCID 175884329
PubChem CID175884329
Molecular FormulaC5H4K2O5
Molecular Weight222.28 g/mol
Exact Mass221.93
IUPAC Name—
SMILESO=C1C(=O)C(O)C(O)C1=O.[K].[K]
InChIInChI=1S/C5H4O5.2K/c6-1-2(7)4(9)5(10)3(1)8;;/h1-2,6-7H;;
InChIKeyNITHKNWCMAZMDC-UHFFFAOYSA-N
XLogP-3.33
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 5-3.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 175884329?
The IUPAC name of CID 175884329 (CID 175884329) is not available.
What is the SMILES notation for CID 175884329?
The canonical SMILES for CID 175884329 is O=C1C(=O)C(O)C(O)C1=O.[K].[K].
What is the InChIKey of CID 175884329?
The InChIKey is NITHKNWCMAZMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4O5.2K/c6-1-2(7)4(9)5(10)3(1)8;;/h1-2,6-7H;;.
What are the key properties of CID 175884329?
CID 175884329 has a molecular weight of 222.28 g/mol, XLogP of -3.33, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175884329 is sourced from PubChem (CID 175884329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).