hexakis(dihydrogen phosphate);molybdenum

H12MoO24P6-6 — CID 18504359

IUPAChexakis(dihydrogen phosphate);molybdenum
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Mo]
InChIInChI=1S/Mo.6H3O4P/c;6*1-5(2,3)4/h;6*(H3,1,2,3,4)/p-6
InChIKeyWHNUEATZRCMRPB-UHFFFAOYSA-H
MW677.86 g/mol
LogP-9.37
Rot. Bonds

About hexakis(dihydrogen phosphate);molybdenum

hexakis(dihydrogen phosphate);molybdenum (PubChem CID 18504359) has the molecular formula H12MoO24P6-6 and a molecular weight of 677.86 g/mol. Its IUPAC name is hexakis(dihydrogen phosphate);molybdenum.

Molecular Properties

Compound Namehexakis(dihydrogen phosphate);molybdenum
PubChem CID18504359
Molecular FormulaH12MoO24P6-6
Molecular Weight677.86 g/mol
Exact Mass679.72
IUPAC Namehexakis(dihydrogen phosphate);molybdenum
SMILESO=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Mo]
InChIInChI=1S/Mo.6H3O4P/c;6*1-5(2,3)4/h;6*(H3,1,2,3,4)/p-6
InChIKeyWHNUEATZRCMRPB-UHFFFAOYSA-H
XLogP-9.37
TPSA483.54 Ų
H-Bond Donors12
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500677.86
LogP ≤ 5-9.37
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

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lithium;dihydrogen phosphate;dihydrate
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Frequently Asked Questions

What is the IUPAC name of hexakis(dihydrogen phosphate);molybdenum?
The IUPAC name of hexakis(dihydrogen phosphate);molybdenum (CID 18504359) is hexakis(dihydrogen phosphate);molybdenum.
What is the SMILES notation for hexakis(dihydrogen phosphate);molybdenum?
The canonical SMILES for hexakis(dihydrogen phosphate);molybdenum is O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.O=P([O-])(O)O.[Mo].
What is the InChIKey of hexakis(dihydrogen phosphate);molybdenum?
The InChIKey is WHNUEATZRCMRPB-UHFFFAOYSA-H. The full InChI is InChI=1S/Mo.6H3O4P/c;6*1-5(2,3)4/h;6*(H3,1,2,3,4)/p-6.
What are the key properties of hexakis(dihydrogen phosphate);molybdenum?
hexakis(dihydrogen phosphate);molybdenum has a molecular weight of 677.86 g/mol, XLogP of -9.37, 0 rotatable bonds, 12 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for hexakis(dihydrogen phosphate);molybdenum is sourced from PubChem (CID 18504359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).