Tetrasodium Etidronate

C2H4Na4O7P2 — CID 19629

IUPACtetrasodium;1,1-diphosphonatoethanol
SMILESCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4
InChIKeyKWXLCDNSEHTOCB-UHFFFAOYSA-J
MW293.96 g/mol
LogP—
Rot. Bonds

About Tetrasodium Etidronate

Tetrasodium Etidronate (PubChem CID 19629) has the molecular formula C2H4Na4O7P2 and a molecular weight of 293.96 g/mol. Its IUPAC name is tetrasodium;1,1-diphosphonatoethanol.

Molecular Properties

Compound NameTetrasodium Etidronate
PubChem CID19629
Molecular FormulaC2H4Na4O7P2
Molecular Weight293.96 g/mol
Exact Mass293.90
IUPAC Nametetrasodium;1,1-diphosphonatoethanol
SMILESCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4
InChIKeyKWXLCDNSEHTOCB-UHFFFAOYSA-J
XLogP—
TPSA147.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms15
Complexity188

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Etidronic Acid
CID 3305
Etidronate Disodium
CID 23894
Trisodium etidronate
CID 17572
(1-hydroxyethylidene)bisphosphonic acid, sodium salt
CID 6335946
Monopotassium 1-hydroxyethane-1,1-diphosphonate
CID 23669003
Monosodium etidronate
CID 23687324
Dicalcium Etidronate
CID 156591
Etidronic acid(2-)
CID 5053503
Copper etidronic acid complex
CID 65296
(1-Hydroxyethylidene)bisphosphonic acid, zinc salt
CID 134911
C2H6Na2O7P2
CID 78759292
(1-Hydroxyethane-1,1-diyl)bis(phosphonate)
CID 3793939

Frequently Asked Questions

What is the IUPAC name of Tetrasodium Etidronate?
The IUPAC name of Tetrasodium Etidronate (CID 19629) is tetrasodium;1,1-diphosphonatoethanol.
What is the SMILES notation for Tetrasodium Etidronate?
The canonical SMILES for Tetrasodium Etidronate is CC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of Tetrasodium Etidronate?
The InChIKey is KWXLCDNSEHTOCB-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H8O7P2.4Na/c1-2(3,10(4,5)6)11(7,8)9;;;;/h3H,1H3,(H2,4,5,6)(H2,7,8,9);;;;/q;4*+1/p-4.
What are the key properties of Tetrasodium Etidronate?
Tetrasodium Etidronate has a molecular weight of 293.96 g/mol, XLogP of not available, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Tetrasodium Etidronate is sourced from PubChem (CID 19629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).