potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride

C8H11KO8 — CID 175386311

IUPACpotassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
SMILESCC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C8H10O8.K.H/c1-4(9)16-8(7(14)15,2-5(10)11)3-6(12)13;;/h2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;+1;-1
InChIKeyDQKYGGCYGFELGP-UHFFFAOYSA-N
MW274.27 g/mol
LogP-3.56
Rot. Bonds6

About potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride

potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride (PubChem CID 175386311) has the molecular formula C8H11KO8 and a molecular weight of 274.27 g/mol. Its IUPAC name is potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride.

Molecular Properties

Compound Namepotassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
PubChem CID175386311
Molecular FormulaC8H11KO8
Molecular Weight274.27 g/mol
Exact Mass274.01
IUPAC Namepotassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride
SMILESCC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O.[H-].[K+]
InChIInChI=1S/C8H10O8.K.H/c1-4(9)16-8(7(14)15,2-5(10)11)3-6(12)13;;/h2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;+1;-1
InChIKeyDQKYGGCYGFELGP-UHFFFAOYSA-N
XLogP-3.56
TPSA138.20 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-3.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

disodium;hydride;2-(1,2,3-tricarboxypropan-2-yloxycarbonyloxy)propane-1,2,3-tricarboxylic acid
CID 175275851
2-acetylperoxypropane-1,2,3-tricarboxylic acid
CID 174930883
2-[3-methyl-2,2-di(propan-2-yl)butanoyl]oxypropane-1,2,3-tricarboxylic acid
CID 87719277
magnesium;hydride;2-hydroperoxypropane-1,2,3-tricarboxylic acid
CID 173025437
tripotassium;2-[3,4-dicarboxy-3-(3,4-dicarboxy-3-hydroxybutanoyl)oxybutanoyl]oxypropane-1,2,3-tricarboxylic acid;hydride;hydrate
CID 173231749
2-oxaldehydoyloxypropane-1,2,3-tricarboxylic acid
CID 54454570
2-carboxyoxypropane-1,2,3-tricarboxylic acid;dihydroxy(dioxo)molybdenum;hydrogen peroxide
CID 87735288
sodium;2-chlorooxypropane-1,2,3-tricarboxylic acid;hydride
CID 173100482
trisodium;2-(3,4-dicarboxy-3-hydroxybutanoyl)oxypropane-1,2,3-tricarboxylic acid;hydride;trihydrate
CID 173324117
2-(hydroxymethoxy)propane-1,2,3-tricarboxylic acid
CID 88843175
pentacalcium;copper;hydride;bis(2-phosphonooxypropane-1,2,3-tricarboxylic acid)
CID 173287882
2-(4-acetyloxyphenoxy)propane-1,2,3-tricarboxylic acid
CID 57315378

Frequently Asked Questions

What is the IUPAC name of potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride?
The IUPAC name of potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride (CID 175386311) is potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride.
What is the SMILES notation for potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride?
The canonical SMILES for potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride is CC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O.[H-].[K+].
What is the InChIKey of potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride?
The InChIKey is DQKYGGCYGFELGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O8.K.H/c1-4(9)16-8(7(14)15,2-5(10)11)3-6(12)13;;/h2-3H2,1H3,(H,10,11)(H,12,13)(H,14,15);;/q;+1;-1.
What are the key properties of potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride?
potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride has a molecular weight of 274.27 g/mol, XLogP of -3.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-acetyloxypropane-1,2,3-tricarboxylic acid;hydride is sourced from PubChem (CID 175386311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).