oxalate;bis(yttrium(3+));hydrate

C6H2O13Y2 — CID 516803

IUPACoxalate;bis(yttrium(3+));hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Y+3].[Y+3]
InChIInChI=1S/3C2H2O4.H2O.2Y/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
InChIKeyNRMHTSMZQQFBRX-UHFFFAOYSA-H
MW459.88 g/mol
LogP-11.37
Rot. Bonds

About oxalate;bis(yttrium(3+));hydrate

oxalate;bis(yttrium(3+));hydrate (PubChem CID 516803) has the molecular formula C6H2O13Y2 and a molecular weight of 459.88 g/mol. Its IUPAC name is oxalate;bis(yttrium(3+));hydrate.

Molecular Properties

Compound Nameoxalate;bis(yttrium(3+));hydrate
PubChem CID516803
Molecular FormulaC6H2O13Y2
Molecular Weight459.88 g/mol
Exact Mass459.76
IUPAC Nameoxalate;bis(yttrium(3+));hydrate
SMILESO.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Y+3].[Y+3]
InChIInChI=1S/3C2H2O4.H2O.2Y/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6
InChIKeyNRMHTSMZQQFBRX-UHFFFAOYSA-H
XLogP-11.37
TPSA272.28 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.88
LogP ≤ 5-11.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalate;bis(yttrium(3+));hydrate?
The IUPAC name of oxalate;bis(yttrium(3+));hydrate (CID 516803) is oxalate;bis(yttrium(3+));hydrate.
What is the SMILES notation for oxalate;bis(yttrium(3+));hydrate?
The canonical SMILES for oxalate;bis(yttrium(3+));hydrate is O.O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].O=C([O-])C(=O)[O-].[Y+3].[Y+3].
What is the InChIKey of oxalate;bis(yttrium(3+));hydrate?
The InChIKey is NRMHTSMZQQFBRX-UHFFFAOYSA-H. The full InChI is InChI=1S/3C2H2O4.H2O.2Y/c3*3-1(4)2(5)6;;;/h3*(H,3,4)(H,5,6);1H2;;/q;;;;2*+3/p-6.
What are the key properties of oxalate;bis(yttrium(3+));hydrate?
oxalate;bis(yttrium(3+));hydrate has a molecular weight of 459.88 g/mol, XLogP of -11.37, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for oxalate;bis(yttrium(3+));hydrate is sourced from PubChem (CID 516803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).