tris(technetium(7+));heptaphosphate

O28P7Tc3 — CID 20561636

IUPACtris(technetium(7+));heptaphosphate
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-].O=P([O-])([O-])[O-].[Tc+7].[Tc+7].[Tc+7]
InChIInChI=1S/7H3O4P.3Tc/c7*1-5(2,3)4;;;/h7*(H3,1,2,3,4);;;/q;;;;;;;3*+7/p-21
InChIKeyMPUPICMYGNGILK-UHFFFAOYSA-A
MW958.79 g/mol
LogP-19.78
Rot. Bonds

About tris(technetium(7+));heptaphosphate

tris(technetium(7+));heptaphosphate (PubChem CID 20561636) has the molecular formula O28P7Tc3 and a molecular weight of 958.79 g/mol. Its IUPAC name is tris(technetium(7+));heptaphosphate.

Molecular Properties

Compound Nametris(technetium(7+));heptaphosphate
PubChem CID20561636
Molecular FormulaO28P7Tc3
Molecular Weight958.79 g/mol
Exact Mass955.39
IUPAC Nametris(technetium(7+));heptaphosphate
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-].O=P([O-])([O-])[O-].[Tc+7].[Tc+7].[Tc+7]
InChIInChI=1S/7H3O4P.3Tc/c7*1-5(2,3)4;;;/h7*(H3,1,2,3,4);;;/q;;;;;;;3*+7/p-21
InChIKeyMPUPICMYGNGILK-UHFFFAOYSA-A
XLogP-19.78
TPSA603.75 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.79
LogP ≤ 5-19.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

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Related Compounds

octadecaazanium;hexaphosphate
CID 158249396
molybdenum diphosphate
CID 22395595
tris(thorium(4+));tetraphosphate
CID 21475626
CID 23618823
CID 23618823
methane phosphate
CID 22352647
CID 23618830
CID 23618830
hydron;phosphate
CID 19972274
dipotassium diphosphate
CID 18612384
zinc phosphate
CID 131721340
sodium phosphate
CID 21225609
gadolinium phosphate
CID 6365243
dysprosium(3+) phosphate
CID 14671408

Frequently Asked Questions

What is the IUPAC name of tris(technetium(7+));heptaphosphate?
The IUPAC name of tris(technetium(7+));heptaphosphate (CID 20561636) is tris(technetium(7+));heptaphosphate.
What is the SMILES notation for tris(technetium(7+));heptaphosphate?
The canonical SMILES for tris(technetium(7+));heptaphosphate 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-].O=P([O-])([O-])[O-].[Tc+7].[Tc+7].[Tc+7].
What is the InChIKey of tris(technetium(7+));heptaphosphate?
The InChIKey is MPUPICMYGNGILK-UHFFFAOYSA-A. The full InChI is InChI=1S/7H3O4P.3Tc/c7*1-5(2,3)4;;;/h7*(H3,1,2,3,4);;;/q;;;;;;;3*+7/p-21.
What are the key properties of tris(technetium(7+));heptaphosphate?
tris(technetium(7+));heptaphosphate has a molecular weight of 958.79 g/mol, XLogP of -19.78, 0 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tris(technetium(7+));heptaphosphate is sourced from PubChem (CID 20561636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).