molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate

MoO13P4-6 — CID 158848084

IUPACmolybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Mo]
InChIInChI=1S/Mo.H6O13P4/c;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/p-6
InChIKeyMOHLUUUBHXPLRV-UHFFFAOYSA-H
MW427.82 g/mol
LogP-4.37
Rot. Bonds6

About molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate

molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (PubChem CID 158848084) has the molecular formula MoO13P4-6 and a molecular weight of 427.82 g/mol. Its IUPAC name is molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.

Molecular Properties

Compound Namemolybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
PubChem CID158848084
Molecular FormulaMoO13P4-6
Molecular Weight427.82 g/mol
Exact Mass429.74
IUPAC Namemolybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Mo]
InChIInChI=1S/Mo.H6O13P4/c;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/p-6
InChIKeyMOHLUUUBHXPLRV-UHFFFAOYSA-H
XLogP-4.37
TPSA234.33 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.82
LogP ≤ 5-4.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The IUPAC name of molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate (CID 158848084) is molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate.
What is the SMILES notation for molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The canonical SMILES for molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is O=P([O-])([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Mo].
What is the InChIKey of molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
The InChIKey is MOHLUUUBHXPLRV-UHFFFAOYSA-H. The full InChI is InChI=1S/Mo.H6O13P4/c;1-14(2,3)11-16(7,8)13-17(9,10)12-15(4,5)6/h;(H,7,8)(H,9,10)(H2,1,2,3)(H2,4,5,6)/p-6.
What are the key properties of molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate?
molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate has a molecular weight of 427.82 g/mol, XLogP of -4.37, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for molybdenum;[oxido-[oxido(phosphonatooxy)phosphoryl]oxyphosphoryl] phosphate is sourced from PubChem (CID 158848084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).