antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)

CrMnO12SbTi4 — CID 173040114

IUPACantimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Cr+3].[Mn+2].[Sb+3]
InChIInChI=1S/Cr.Mn.12O.Sb.4Ti/q+3;+2;;;;;8*-1;+3;;;;
InChIKeyBVLAOUXMEYDCBO-UHFFFAOYSA-N
MW612.15 g/mol
LogP-10.38
Rot. Bonds

About antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)

antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+) (PubChem CID 173040114) has the molecular formula CrMnO12SbTi4 and a molecular weight of 612.15 g/mol. Its IUPAC name is antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+).

Molecular Properties

Compound Nameantimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)
PubChem CID173040114
Molecular FormulaCrMnO12SbTi4
Molecular Weight612.15 g/mol
Exact Mass611.51
IUPAC Nameantimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)
SMILESO=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Cr+3].[Mn+2].[Sb+3]
InChIInChI=1S/Cr.Mn.12O.Sb.4Ti/q+3;+2;;;;;8*-1;+3;;;;
InChIKeyBVLAOUXMEYDCBO-UHFFFAOYSA-N
XLogP-10.38
TPSA252.76 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.15
LogP ≤ 5-10.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)?
The IUPAC name of antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+) (CID 173040114) is antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+).
What is the SMILES notation for antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)?
The canonical SMILES for antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+) is O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].O=[Ti]([O-])[O-].[Cr+3].[Mn+2].[Sb+3].
What is the InChIKey of antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)?
The InChIKey is BVLAOUXMEYDCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/Cr.Mn.12O.Sb.4Ti/q+3;+2;;;;;8*-1;+3;;;;.
What are the key properties of antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+)?
antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+) has a molecular weight of 612.15 g/mol, XLogP of -10.38, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);chromium(3+);tetrakis(dioxido(oxo)titanium);manganese(2+) is sourced from PubChem (CID 173040114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).