tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane

C13H22Na4O6P2 — CID 15261217

IUPACtetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane
SMILESCC(C)=CCC/C(C)=C/CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C13H26O6P2.4Na/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19;;;;/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4/b12-8+;;;;
InChIKeyPPQNBJKCBXAQKQ-AMBMTFPGSA-J
MW428.22 g/mol
LogP-10.98
Rot. Bonds9

About tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane

tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane (PubChem CID 15261217) has the molecular formula C13H22Na4O6P2 and a molecular weight of 428.22 g/mol. Its IUPAC name is tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane.

Molecular Properties

Compound Nametetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane
PubChem CID15261217
Molecular FormulaC13H22Na4O6P2
Molecular Weight428.22 g/mol
Exact Mass428.05
IUPAC Nametetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane
SMILESCC(C)=CCC/C(C)=C/CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C13H26O6P2.4Na/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19;;;;/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4/b12-8+;;;;
InChIKeyPPQNBJKCBXAQKQ-AMBMTFPGSA-J
XLogP-10.98
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.22
LogP ≤ 5-10.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane?
The IUPAC name of tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane (CID 15261217) is tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane.
What is the SMILES notation for tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane?
The canonical SMILES for tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane is CC(C)=CCC/C(C)=C/CCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane?
The InChIKey is PPQNBJKCBXAQKQ-AMBMTFPGSA-J. The full InChI is InChI=1S/C13H26O6P2.4Na/c1-11(2)7-6-9-12(3)8-4-5-10-13(20(14,15)16)21(17,18)19;;;;/h7-8,13H,4-6,9-10H2,1-3H3,(H2,14,15,16)(H2,17,18,19);;;;/q;4*+1/p-4/b12-8+;;;;.
What are the key properties of tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane?
tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane has a molecular weight of 428.22 g/mol, XLogP of -10.98, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrasodium;[(5E)-6,10-dimethyl-1-phosphonatoundeca-5,9-dienyl]-dioxido-oxo-lambda5-phosphane is sourced from PubChem (CID 15261217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).