CID 158985264

C6H12KO9 — CID 158985264

IUPAC—
SMILESO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[K]
InChIInChI=1S/C6H8O7.K.2H2O/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);;2*1H2
InChIKeyJPMNTGAUNVHINJ-UHFFFAOYSA-N
MW267.25 g/mol
LogP-3.28
Rot. Bonds5

About CID 158985264

CID 158985264 (PubChem CID 158985264) has the molecular formula C6H12KO9 and a molecular weight of 267.25 g/mol.

Molecular Properties

Compound NameCID 158985264
PubChem CID158985264
Molecular FormulaC6H12KO9
Molecular Weight267.25 g/mol
Exact Mass267.01
IUPAC Name—
SMILESO.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[K]
InChIInChI=1S/C6H8O7.K.2H2O/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);;2*1H2
InChIKeyJPMNTGAUNVHINJ-UHFFFAOYSA-N
XLogP-3.28
TPSA195.13 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 5-3.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

CID 131842539
CID 131842539
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
bis(2-hydroxypropane-1,2,3-tricarboxylic acid);zinc;trihydrate
CID 174885408
2-hydroxypropane-1,2,3-tricarboxylic acid;nickel;trihydrate
CID 155387795
CID 87184526
CID 87184526
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 158985264?
The IUPAC name of CID 158985264 (CID 158985264) is not available.
What is the SMILES notation for CID 158985264?
The canonical SMILES for CID 158985264 is O.O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[K].
What is the InChIKey of CID 158985264?
The InChIKey is JPMNTGAUNVHINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O7.K.2H2O/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);;2*1H2.
What are the key properties of CID 158985264?
CID 158985264 has a molecular weight of 267.25 g/mol, XLogP of -3.28, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 158985264 is sourced from PubChem (CID 158985264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).