CID 87184526

C6H8KNaO7 — CID 87184526

IUPAC—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[Na]
InChIInChI=1S/C6H8O7.K.Na/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);;
InChIKeyMWGOBEKJIVYJDK-UHFFFAOYSA-N
MW254.21 g/mol
LogP-2.01
Rot. Bonds5

About CID 87184526

CID 87184526 (PubChem CID 87184526) has the molecular formula C6H8KNaO7 and a molecular weight of 254.21 g/mol.

Molecular Properties

Compound NameCID 87184526
PubChem CID87184526
Molecular FormulaC6H8KNaO7
Molecular Weight254.21 g/mol
Exact Mass253.98
IUPAC Name—
SMILESO=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[Na]
InChIInChI=1S/C6H8O7.K.Na/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);;
InChIKeyMWGOBEKJIVYJDK-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 ≤ 500254.21
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 87184526?
The IUPAC name of CID 87184526 (CID 87184526) is not available.
What is the SMILES notation for CID 87184526?
The canonical SMILES for CID 87184526 is O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[Na].
What is the InChIKey of CID 87184526?
The InChIKey is MWGOBEKJIVYJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.K.Na/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 87184526?
CID 87184526 has a molecular weight of 254.21 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 87184526 is sourced from PubChem (CID 87184526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).