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

Na10O25P8 — CID 173116925

IUPACdecasodium;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
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/10Na.H6O18P6.H4O7P2/c;;;;;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;1-8(2,3)7-9(4,5)6/h;;;;;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12);(H2,1,2,3)(H2,4,5,6)/q10*+1;;/p-10
InChIKeyCFXSAKONWIXDKR-UHFFFAOYSA-D
MW877.67 g/mol
LogP-36.39
Rot. Bonds2

About 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

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 (PubChem CID 173116925) has the molecular formula Na10O25P8 and a molecular weight of 877.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namedecasodium;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
PubChem CID173116925
Molecular FormulaNa10O25P8
Molecular Weight877.67 g/mol
Exact Mass877.56
IUPAC Namedecasodium;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
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/10Na.H6O18P6.H4O7P2/c;;;;;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;1-8(2,3)7-9(4,5)6/h;;;;;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12);(H2,1,2,3)(H2,4,5,6)/q10*+1;;/p-10
InChIKeyCFXSAKONWIXDKR-UHFFFAOYSA-D
XLogP-36.39
TPSA431.77 Ų
H-Bond Donors
H-Bond Acceptors25
Rotatable Bonds2
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.67
LogP ≤ 5-36.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

sodium tetrakis(2,4,6,8-tetraoxido-1,3,5,7,2λ5,4λ5,6λ5,8λ5-tetraoxatetraphosphocane 2,4,6,8-tetraoxide)
CID 11499154
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
phosphonato phosphate
CID 644102
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
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;fluoride
CID 23202687

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=P([O-])([O-])OP(=O)([O-])[O-].O=P1([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])OP(=O)([O-])O1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of 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?
The InChIKey is CFXSAKONWIXDKR-UHFFFAOYSA-D. The full InChI is InChI=1S/10Na.H6O18P6.H4O7P2/c;;;;;;;;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19;1-8(2,3)7-9(4,5)6/h;;;;;;;;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12);(H2,1,2,3)(H2,4,5,6)/q10*+1;;/p-10.
What are the key properties of 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?
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 has a molecular weight of 877.67 g/mol, XLogP of -36.39, 2 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 173116925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).