sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)

NaO48P16-15 — CID 11499154

IUPACsodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)
SMILESO=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+]
InChIInChI=1S/Na.4H4O12P4/c;4*1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h;4*(H,1,2)(H,3,4)(H,5,6)(H,7,8)/q+1;;;;/p-16
InChIKeyPQYJOVBCQHIINB-UHFFFAOYSA-A
MW1286.53 g/mol
LogP-11.24
Rot. Bonds

About sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)

sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide) (PubChem CID 11499154) has the molecular formula NaO48P16-15 and a molecular weight of 1286.53 g/mol. Its IUPAC name is sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide).

Molecular Properties

Compound Namesodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)
PubChem CID11499154
Molecular FormulaNaO48P16-15
Molecular Weight1286.53 g/mol
Exact Mass1286.33
IUPAC Namesodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)
SMILESO=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+]
InChIInChI=1S/Na.4H4O12P4/c;4*1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h;4*(H,1,2)(H,3,4)(H,5,6)(H,7,8)/q+1;;;;/p-16
InChIKeyPQYJOVBCQHIINB-UHFFFAOYSA-A
XLogP-11.24
TPSA789.76 Ų
H-Bond Donors
H-Bond Acceptors48
Rotatable Bonds
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001286.53
LogP ≤ 5-11.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

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

Analyze sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide) with MolForge

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Related Compounds

trisodium;2,4,6-trioxido-1,3,5,2lambda5,4lambda5,6lambda5-trioxatriphosphinane 2,4,6-trioxide
CID 24579
potassium;disodium;2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide
CID 139036456
2,4,6,8,10,12,14,16-octaoxido-1,3,5,7,9,11,13,15-octaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5,14λ5,16λ5-octaphosphacyclohexadecane 2,4,6,8,10,12,14,16-octaoxide
CID 23421184
2,4,6,8,10,12,14,16,18,20-decaoxido-1,3,5,7,9,11,13,15,17,19-decaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5,14λ5,16λ5,18λ5,20λ5-decaphosphacycloicosane 2,4,6,8,10,12,14,16,18,20-decaoxide
CID 154734535
strontium;rubidium(1+);2,4,6-trioxido-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;trihydrate
CID 139045774
decasodium;2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide;phosphonato phosphate
CID 173116925
dodecakis(diaminomethylideneazanium);2,4,6,8,10,12,14,16,18,20,22,24-dodecaoxido-1,3,5,7,9,11,13,15,17,19,21,23-dodecaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5,14λ5,16λ5,18λ5,20λ5,22λ5,24λ5-dodecaphosphacyclotetracosane 2,4,6,8,10,12,14,16,18,20,22,24-dodecaoxide;hexahydrate
CID 139036493
hexasodium;1,2,8,9,15,16-hexadeuterio-4,6,11,13,18,20-hexaoxido-3,5,7,10,12,14,17,19,21-nonaoxa-4λ5,6λ5,11λ5,13λ5,18λ5,20λ5-hexaphosphatetracyclo[14.5.0.02,8.09,15]henicosane 4,6,11,13,18,20-hexaoxide
CID 169442477
tris(6-azaniumylhexylazanium);2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide;hexahydrate
CID 139055133
disodium bis(2-oxido-1,3,2λ5-dioxaphospholane 2-oxide)
CID 22145109
copper;lithium;tris(4-oxido-1,2,3,4λ5-trioxaphosphetane 4-oxide)
CID 175330691
2,4,6,8,10,12-hexaoxido-1,3,5,7,9,11-hexaoxa-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododecane 2,4,6,8,10,12-hexaoxide;hexakis((3-methylphenyl)azanium)
CID 139057606

Frequently Asked Questions

What is the IUPAC name of sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)?
The IUPAC name of sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide) (CID 11499154) is sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide).
What is the SMILES notation for sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)?
The canonical SMILES for sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide) is O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+].
What is the InChIKey of sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)?
The InChIKey is PQYJOVBCQHIINB-UHFFFAOYSA-A. The full InChI is InChI=1S/Na.4H4O12P4/c;4*1-13(2)9-14(3,4)11-16(7,8)12-15(5,6)10-13/h;4*(H,1,2)(H,3,4)(H,5,6)(H,7,8)/q+1;;;;/p-16.
What are the key properties of sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)?
sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide) has a molecular weight of 1286.53 g/mol, XLogP of -11.24, 0 rotatable bonds, 0 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide) is sourced from PubChem (CID 11499154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).