CID 86636910

C4H4KNa2O6 — CID 86636910

IUPAC—
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[K].[Na+].[Na+]
InChIInChI=1S/C4H6O6.K.2Na/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;;2*+1/p-2
InChIKeyBCAOGOBUDQOBFL-UHFFFAOYSA-L
MW233.15 g/mol
LogP-11.16
Rot. Bonds3

About CID 86636910

CID 86636910 (PubChem CID 86636910) has the molecular formula C4H4KNa2O6 and a molecular weight of 233.15 g/mol.

Molecular Properties

Compound NameCID 86636910
PubChem CID86636910
Molecular FormulaC4H4KNa2O6
Molecular Weight233.15 g/mol
Exact Mass232.94
IUPAC Name—
SMILESO=C([O-])C(O)C(O)C(=O)[O-].[K].[Na+].[Na+]
InChIInChI=1S/C4H6O6.K.2Na/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;;2*+1/p-2
InChIKeyBCAOGOBUDQOBFL-UHFFFAOYSA-L
XLogP-11.16
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.15
LogP ≤ 5-11.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

magnesium;disodium;2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
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sodium;2,3-dihydroxybutanedioate;nickel(2+)
CID 159221608
2,3-dihydroxybutanedioate
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dipotassium;(2R,3S)-2,3-dihydroxybutanedioate
CID 6452017
dibismuth;tris((2R,3R)-2,3-dihydroxybutanedioate)
CID 3080629
2,3-dihydroxybutanedioate;manganese(2+)
CID 22027285
azanium;potassium;sodium;2,3-dihydroxybutanedioate;chloride
CID 160595070
dibismuth;tris(2,3-dihydroxybutanedioate);hexahydrate
CID 173203823
copper;2,3-dihydroxybutanedioate;tetrahydrate
CID 159915205
azanium;2,3-dihydroxybutanedioate;iron(3+)
CID 22027283
calcium;carbonic acid;2,3-dihydroxybutanedioate
CID 158616443
azanium;cerium(3+);2,3-dihydroxybutanedioate;(2R,3R)-2,3-dihydroxybutanedioate
CID 90475534

Frequently Asked Questions

What is the IUPAC name of CID 86636910?
The IUPAC name of CID 86636910 (CID 86636910) is not available.
What is the SMILES notation for CID 86636910?
The canonical SMILES for CID 86636910 is O=C([O-])C(O)C(O)C(=O)[O-].[K].[Na+].[Na+].
What is the InChIKey of CID 86636910?
The InChIKey is BCAOGOBUDQOBFL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H6O6.K.2Na/c5-1(3(7)8)2(6)4(9)10;;;/h1-2,5-6H,(H,7,8)(H,9,10);;;/q;;2*+1/p-2.
What are the key properties of CID 86636910?
CID 86636910 has a molecular weight of 233.15 g/mol, XLogP of -11.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86636910 is sourced from PubChem (CID 86636910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).