CID 87090686

C6H8K2O7 — CID 87090686

IUPAC—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K]
InChIInChI=1S/C6H8O7.2K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;
InChIKeyGUEGQOBGTVZOIM-UHFFFAOYSA-N
MW270.32 g/mol
LogP-2.01
Rot. Bonds5

About CID 87090686

CID 87090686 (PubChem CID 87090686) has the molecular formula C6H8K2O7 and a molecular weight of 270.32 g/mol.

Molecular Properties

Compound NameCID 87090686
PubChem CID87090686
Molecular FormulaC6H8K2O7
Molecular Weight270.32 g/mol
Exact Mass269.95
IUPAC Name—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K]
InChIInChI=1S/C6H8O7.2K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;
InChIKeyGUEGQOBGTVZOIM-UHFFFAOYSA-N
XLogP-2.01
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-2.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of CID 87090686?
The IUPAC name of CID 87090686 (CID 87090686) is not available.
What is the SMILES notation for CID 87090686?
The canonical SMILES for CID 87090686 is O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K].
What is the InChIKey of CID 87090686?
The InChIKey is GUEGQOBGTVZOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.2K/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;.
What are the key properties of CID 87090686?
CID 87090686 has a molecular weight of 270.32 g/mol, XLogP of -2.01, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87090686 is sourced from PubChem (CID 87090686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).