disodium;ethane;phosphono phosphate

C2H8Na2O7P2 — CID 19985246

IUPACdisodium;ethane;phosphono phosphate
SMILESCC.O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/C2H6.2Na.H4O7P2/c1-2;;;1-8(2,3)7-9(4,5)6/h1-2H3;;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2
InChIKeySUKDLBMXOFNDTJ-UHFFFAOYSA-L
MW252.01 g/mol
LogP-7.04
Rot. Bonds2

About disodium;ethane;phosphono phosphate

disodium;ethane;phosphono phosphate (PubChem CID 19985246) has the molecular formula C2H8Na2O7P2 and a molecular weight of 252.01 g/mol. Its IUPAC name is disodium;ethane;phosphono phosphate.

Molecular Properties

Compound Namedisodium;ethane;phosphono phosphate
PubChem CID19985246
Molecular FormulaC2H8Na2O7P2
Molecular Weight252.01 g/mol
Exact Mass251.95
IUPAC Namedisodium;ethane;phosphono phosphate
SMILESCC.O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+]
InChIInChI=1S/C2H6.2Na.H4O7P2/c1-2;;;1-8(2,3)7-9(4,5)6/h1-2H3;;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2
InChIKeySUKDLBMXOFNDTJ-UHFFFAOYSA-L
XLogP-7.04
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.01
LogP ≤ 5-7.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

phosphono phosphate
CID 57345951
manganese(2+);phosphono phosphate
CID 138395841
disodium;phosphono dihydrogen phosphate;phosphono phosphate
CID 173430814
magnesium;sodium;iron(2+);phosphono phosphate;phosphoric acid;phosphate
CID 175387315
copper;phosphono phosphate;sulfuric acid
CID 175344520
chromium(3+);[hydroxy(oxido)phosphoryl] phosphate;phosphono dihydrogen phosphate
CID 175898917
pentaazanium;[oxido-[oxido-[oxido(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphate
CID 160515534
disodium;iron(2+);phosphonato phosphate;phosphoric acid
CID 175805156
sodium;azane;phosphono hydrogen phosphate;tetrahydrate
CID 174651313
phosphonato phosphate
CID 644102
cesium phosphono hydrogen phosphate
CID 160778064
disodium;hydron;[hydroxy(oxido)phosphoryl] phosphate
CID 173017843

Frequently Asked Questions

What is the IUPAC name of disodium;ethane;phosphono phosphate?
The IUPAC name of disodium;ethane;phosphono phosphate (CID 19985246) is disodium;ethane;phosphono phosphate.
What is the SMILES notation for disodium;ethane;phosphono phosphate?
The canonical SMILES for disodium;ethane;phosphono phosphate is CC.O=P([O-])([O-])OP(=O)(O)O.[Na+].[Na+].
What is the InChIKey of disodium;ethane;phosphono phosphate?
The InChIKey is SUKDLBMXOFNDTJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6.2Na.H4O7P2/c1-2;;;1-8(2,3)7-9(4,5)6/h1-2H3;;;(H2,1,2,3)(H2,4,5,6)/q;2*+1;/p-2.
What are the key properties of disodium;ethane;phosphono phosphate?
disodium;ethane;phosphono phosphate has a molecular weight of 252.01 g/mol, XLogP of -7.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;ethane;phosphono phosphate is sourced from PubChem (CID 19985246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).