acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium

C14H14O16U-6 — CID 159987466

IUPACacetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium
SMILESCC(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[U]
InChIInChI=1S/2C6H8O7.C2H4O2.U/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);/p-6
InChIKeyXWRQNZXULDMEOT-UHFFFAOYSA-H
MW676.28 g/mol
LogP-10.41
Rot. Bonds10

About acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium

acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium (PubChem CID 159987466) has the molecular formula C14H14O16U-6 and a molecular weight of 676.28 g/mol. Its IUPAC name is acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium.

Molecular Properties

Compound Nameacetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium
PubChem CID159987466
Molecular FormulaC14H14O16U-6
Molecular Weight676.28 g/mol
Exact Mass676.08
IUPAC Nameacetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium
SMILESCC(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[U]
InChIInChI=1S/2C6H8O7.C2H4O2.U/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);/p-6
InChIKeyXWRQNZXULDMEOT-UHFFFAOYSA-H
XLogP-10.41
TPSA318.54 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.28
LogP ≤ 5-10.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

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CID 173181052
CID 174960241
CID 174960241
dicalcium;hydrogen carbonate;2-hydroxypropane-1,2,3-tricarboxylate
CID 174838282
dysprosium(3+);2-hydroxypropane-1,2,3-tricarboxylate
CID 25679
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CID 21120021
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
CID 90472924
2-hydroxypropane-1,2,3-tricarboxylate;pentahydrate
CID 22361291
tris(2-(carboxymethyl)-2-hydroxybutanedioate);bis(iron(3+))
CID 173170506
tricalcium;bis(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 23154181
bismuth;potassium;2-hydroxypropane-1,2,3-tricarboxylate
CID 19784307
nonasodium;tris(2-hydroxypropane-1,2,3-tricarboxylate);hydrate
CID 172827703

Frequently Asked Questions

What is the IUPAC name of acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium?
The IUPAC name of acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium (CID 159987466) is acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium.
What is the SMILES notation for acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium?
The canonical SMILES for acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium is CC(=O)O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].[U].
What is the InChIKey of acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium?
The InChIKey is XWRQNZXULDMEOT-UHFFFAOYSA-H. The full InChI is InChI=1S/2C6H8O7.C2H4O2.U/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;1-2(3)4;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H3,(H,3,4);/p-6.
What are the key properties of acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium?
acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium has a molecular weight of 676.28 g/mol, XLogP of -10.41, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;bis(2-hydroxypropane-1,2,3-tricarboxylate);uranium is sourced from PubChem (CID 159987466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).