methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)

C28H44Mo8N4O24-40 — CID 139056276

IUPACmethanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)
SMILESC[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.8CH3O.8Mo.16O/c4*1-2-4-6-5-3-1;8*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-5H;8*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;8*-1;;;;;;;;;16*-2
InChIKeyXBGBSVGMRGRPDM-UHFFFAOYSA-N
MW1588.18 g/mol
LogP-5.78
Rot. Bonds

About methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)

methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine) (PubChem CID 139056276) has the molecular formula C28H44Mo8N4O24-40 and a molecular weight of 1588.18 g/mol. Its IUPAC name is methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine).

Molecular Properties

Compound Namemethanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)
PubChem CID139056276
Molecular FormulaC28H44Mo8N4O24-40
Molecular Weight1588.18 g/mol
Exact Mass1603.50
IUPAC Namemethanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)
SMILESC[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1
InChIInChI=1S/4C5H5N.8CH3O.8Mo.16O/c4*1-2-4-6-5-3-1;8*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-5H;8*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;8*-1;;;;;;;;;16*-2
InChIKeyXBGBSVGMRGRPDM-UHFFFAOYSA-N
XLogP-5.78
TPSA692.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001588.18
LogP ≤ 5-5.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)?
The IUPAC name of methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine) (CID 139056276) is methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine).
What is the SMILES notation for methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)?
The canonical SMILES for methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine) is C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].C[O-].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].c1ccncc1.c1ccncc1.c1ccncc1.c1ccncc1.
What is the InChIKey of methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)?
The InChIKey is XBGBSVGMRGRPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/4C5H5N.8CH3O.8Mo.16O/c4*1-2-4-6-5-3-1;8*1-2;;;;;;;;;;;;;;;;;;;;;;;;/h4*1-5H;8*1H3;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;8*-1;;;;;;;;;16*-2.
What are the key properties of methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine)?
methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine) has a molecular weight of 1588.18 g/mol, XLogP of -5.78, 0 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methanolate;molybdenum;hexadecakis(oxygen(2-));tetrakis(pyridine) is sourced from PubChem (CID 139056276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).