CID 131842539

C6H10K3O8 — CID 131842539

IUPAC—
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K].[K]
InChIInChI=1S/C6H8O7.3K.H2O/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);;;;1H2
InChIKeyBIOSDDNUGLLZPN-UHFFFAOYSA-N
MW327.43 g/mol
LogP-3.22
Rot. Bonds5

About CID 131842539

CID 131842539 (PubChem CID 131842539) has the molecular formula C6H10K3O8 and a molecular weight of 327.43 g/mol.

Molecular Properties

Compound NameCID 131842539
PubChem CID131842539
Molecular FormulaC6H10K3O8
Molecular Weight327.43 g/mol
Exact Mass326.93
IUPAC Name—
SMILESO.O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K].[K]
InChIInChI=1S/C6H8O7.3K.H2O/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);;;;1H2
InChIKeyBIOSDDNUGLLZPN-UHFFFAOYSA-N
XLogP-3.22
TPSA163.63 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 5-3.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 158985264
CID 158985264
tris(2-hydroxypropane-1,2,3-tricarboxylic acid);dihydrate
CID 172729585
hydrogen peroxide;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 158473512
CID 87090686
CID 87090686
CID 170847227
CID 170847227
CID 87184526
CID 87184526
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
azane;2-hydroxypropane-1,2,3-tricarboxylic acid;trihydrate
CID 175162796
cobalt;2-hydroxypropane-1,2,3-tricarboxylic acid;dihydrate
CID 159047889
lithium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;hydrate
CID 173006483
sodium;hydride;2-hydroxypropane-1,2,3-tricarboxylic acid;heptahydrate
CID 173006501

Frequently Asked Questions

What is the IUPAC name of CID 131842539?
The IUPAC name of CID 131842539 (CID 131842539) is not available.
What is the SMILES notation for CID 131842539?
The canonical SMILES for CID 131842539 is O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].[K].[K].
What is the InChIKey of CID 131842539?
The InChIKey is BIOSDDNUGLLZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.3K.H2O/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);;;;1H2.
What are the key properties of CID 131842539?
CID 131842539 has a molecular weight of 327.43 g/mol, XLogP of -3.22, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131842539 is sourced from PubChem (CID 131842539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).