sodium dimethyl phosphate

C2H6NaO4P — CID 23663684

IUPACsodium dimethyl phosphate
SMILESCOP(=O)([O-])OC.[Na+]
InChIInChI=1S/C2H7O4P.Na/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1
InChIKeyLMGRDVWNCARTPS-UHFFFAOYSA-M
MW148.03 g/mol
LogP-3.25
Rot. Bonds2

About sodium dimethyl phosphate

sodium dimethyl phosphate (PubChem CID 23663684) has the molecular formula C2H6NaO4P and a molecular weight of 148.03 g/mol. Its IUPAC name is sodium dimethyl phosphate.

Molecular Properties

Compound Namesodium dimethyl phosphate
PubChem CID23663684
Molecular FormulaC2H6NaO4P
Molecular Weight148.03 g/mol
Exact Mass147.99
IUPAC Namesodium dimethyl phosphate
SMILESCOP(=O)([O-])OC.[Na+]
InChIInChI=1S/C2H7O4P.Na/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1
InChIKeyLMGRDVWNCARTPS-UHFFFAOYSA-M
XLogP-3.25
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.03
LogP ≤ 5-3.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium dimethyl phosphate?
The IUPAC name of sodium dimethyl phosphate (CID 23663684) is sodium dimethyl phosphate.
What is the SMILES notation for sodium dimethyl phosphate?
The canonical SMILES for sodium dimethyl phosphate is COP(=O)([O-])OC.[Na+].
What is the InChIKey of sodium dimethyl phosphate?
The InChIKey is LMGRDVWNCARTPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C2H7O4P.Na/c1-5-7(3,4)6-2;/h1-2H3,(H,3,4);/q;+1/p-1.
What are the key properties of sodium dimethyl phosphate?
sodium dimethyl phosphate has a molecular weight of 148.03 g/mol, XLogP of -3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dimethyl phosphate is sourced from PubChem (CID 23663684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).