acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)

C15H34O8Pt2Y2-2 — CID 167637970

IUPACacetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)
SMILESO=C(O)CC(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4].[Pt+4].[Y].[Y]
InChIInChI=1S/C3H4O4.2C2H3O2.8CH3.2Pt.2Y/c4-2(5)1-3(6)7;2*1-2(3)4;;;;;;;;;;;;/h1H2,(H,4,5)(H,6,7);2*1H2,(H,3,4);8*1H3;;;;/q;10*-1;2*+4;;
InChIKeySDLGBEAQCDFHGY-UHFFFAOYSA-N
MW910.40 g/mol
LogP2.95
Rot. Bonds2

About acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)

acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium) (PubChem CID 167637970) has the molecular formula C15H34O8Pt2Y2-2 and a molecular weight of 910.40 g/mol. Its IUPAC name is acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium).

Molecular Properties

Compound Nameacetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)
PubChem CID167637970
Molecular FormulaC15H34O8Pt2Y2-2
Molecular Weight910.40 g/mol
Exact Mass909.97
IUPAC Nameacetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)
SMILESO=C(O)CC(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4].[Pt+4].[Y].[Y]
InChIInChI=1S/C3H4O4.2C2H3O2.8CH3.2Pt.2Y/c4-2(5)1-3(6)7;2*1-2(3)4;;;;;;;;;;;;/h1H2,(H,4,5)(H,6,7);2*1H2,(H,3,4);8*1H3;;;;/q;10*-1;2*+4;;
InChIKeySDLGBEAQCDFHGY-UHFFFAOYSA-N
XLogP2.95
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500910.40
LogP ≤ 52.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

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CID 154096540

Frequently Asked Questions

What is the IUPAC name of acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)?
The IUPAC name of acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium) (CID 167637970) is acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium).
What is the SMILES notation for acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)?
The canonical SMILES for acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium) is O=C(O)CC(=O)O.[CH2-]C(=O)O.[CH2-]C(=O)O.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Pt+4].[Pt+4].[Y].[Y].
What is the InChIKey of acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)?
The InChIKey is SDLGBEAQCDFHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4O4.2C2H3O2.8CH3.2Pt.2Y/c4-2(5)1-3(6)7;2*1-2(3)4;;;;;;;;;;;;/h1H2,(H,4,5)(H,6,7);2*1H2,(H,3,4);8*1H3;;;;/q;10*-1;2*+4;;.
What are the key properties of acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium)?
acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium) has a molecular weight of 910.40 g/mol, XLogP of 2.95, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;carbanide;bis(platinum(4+));propanedioic acid;bis(yttrium) is sourced from PubChem (CID 167637970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).