oxygen(2-);tris(ruthenium(3+));heptaacetate

C14H21O15Ru3 — CID 170850282

IUPACoxygen(2-);tris(ruthenium(3+));heptaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2].[Ru+3].[Ru+3].[Ru+3]
InChIInChI=1S/7C2H4O2.O.3Ru/c7*1-2(3)4;;;;/h7*1H3,(H,3,4);;;;/q;;;;;;;-2;3*+3/p-7
InChIKeySPIVCXPUXJNYDG-UHFFFAOYSA-G
MW732.52 g/mol
LogP-8.83
Rot. Bonds

About oxygen(2-);tris(ruthenium(3+));heptaacetate

oxygen(2-);tris(ruthenium(3+));heptaacetate (PubChem CID 170850282) has the molecular formula C14H21O15Ru3 and a molecular weight of 732.52 g/mol. Its IUPAC name is oxygen(2-);tris(ruthenium(3+));heptaacetate.

Molecular Properties

Compound Nameoxygen(2-);tris(ruthenium(3+));heptaacetate
PubChem CID170850282
Molecular FormulaC14H21O15Ru3
Molecular Weight732.52 g/mol
Exact Mass734.80
IUPAC Nameoxygen(2-);tris(ruthenium(3+));heptaacetate
SMILESCC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2].[Ru+3].[Ru+3].[Ru+3]
InChIInChI=1S/7C2H4O2.O.3Ru/c7*1-2(3)4;;;;/h7*1H3,(H,3,4);;;;/q;;;;;;;-2;3*+3/p-7
InChIKeySPIVCXPUXJNYDG-UHFFFAOYSA-G
XLogP-8.83
TPSA309.41 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500732.52
LogP ≤ 5-8.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

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Related Compounds

nitroxyl anion;ruthenium(3+);diacetate
CID 25210309
cerium(3+);oxygen(2-);acetate;hydrate
CID 172680017
bis(cobalt(2+));tetraacetate
CID 157121376
tricalcium diacetate
CID 19804487
uranium hexaacetate
CID 20541057
zirconium acetate
CID 18596
manganese(3+) diacetate
CID 159209977
(indium(3+)) diacetate
CID 173450278
terbium(3+) acetate
CID 22482914
CID 170997571
CID 170997571
tris(barium(2+)) diacetate
CID 19804496
nonasodium;nonaacetate
CID 173443222

Frequently Asked Questions

What is the IUPAC name of oxygen(2-);tris(ruthenium(3+));heptaacetate?
The IUPAC name of oxygen(2-);tris(ruthenium(3+));heptaacetate (CID 170850282) is oxygen(2-);tris(ruthenium(3+));heptaacetate.
What is the SMILES notation for oxygen(2-);tris(ruthenium(3+));heptaacetate?
The canonical SMILES for oxygen(2-);tris(ruthenium(3+));heptaacetate is CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-].[O-2].[Ru+3].[Ru+3].[Ru+3].
What is the InChIKey of oxygen(2-);tris(ruthenium(3+));heptaacetate?
The InChIKey is SPIVCXPUXJNYDG-UHFFFAOYSA-G. The full InChI is InChI=1S/7C2H4O2.O.3Ru/c7*1-2(3)4;;;;/h7*1H3,(H,3,4);;;;/q;;;;;;;-2;3*+3/p-7.
What are the key properties of oxygen(2-);tris(ruthenium(3+));heptaacetate?
oxygen(2-);tris(ruthenium(3+));heptaacetate has a molecular weight of 732.52 g/mol, XLogP of -8.83, 0 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for oxygen(2-);tris(ruthenium(3+));heptaacetate is sourced from PubChem (CID 170850282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).