sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride

C8H10NaO5P — CID 173321018

IUPACsodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride
SMILESO=P(O)(O)Cc1ccc2c(c1)OCO2.[H-].[Na+]
InChIInChI=1S/C8H9O5P.Na.H/c9-14(10,11)4-6-1-2-7-8(3-6)13-5-12-7;;/h1-3H,4-5H2,(H2,9,10,11);;/q;+1;-1
InChIKeyDGCMFAHHJMZHCN-UHFFFAOYSA-N
MW240.13 g/mol
LogP-1.79
Rot. Bonds2

About sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride

sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride (PubChem CID 173321018) has the molecular formula C8H10NaO5P and a molecular weight of 240.13 g/mol. Its IUPAC name is sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride.

Molecular Properties

Compound Namesodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride
PubChem CID173321018
Molecular FormulaC8H10NaO5P
Molecular Weight240.13 g/mol
Exact Mass240.02
IUPAC Namesodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride
SMILESO=P(O)(O)Cc1ccc2c(c1)OCO2.[H-].[Na+]
InChIInChI=1S/C8H9O5P.Na.H/c9-14(10,11)4-6-1-2-7-8(3-6)13-5-12-7;;/h1-3H,4-5H2,(H2,9,10,11);;/q;+1;-1
InChIKeyDGCMFAHHJMZHCN-UHFFFAOYSA-N
XLogP-1.79
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.13
LogP ≤ 5-1.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride?
The IUPAC name of sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride (CID 173321018) is sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride.
What is the SMILES notation for sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride?
The canonical SMILES for sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride is O=P(O)(O)Cc1ccc2c(c1)OCO2.[H-].[Na+].
What is the InChIKey of sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride?
The InChIKey is DGCMFAHHJMZHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O5P.Na.H/c9-14(10,11)4-6-1-2-7-8(3-6)13-5-12-7;;/h1-3H,4-5H2,(H2,9,10,11);;/q;+1;-1.
What are the key properties of sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride?
sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride has a molecular weight of 240.13 g/mol, XLogP of -1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,3-benzodioxol-5-ylmethylphosphonic acid;hydride is sourced from PubChem (CID 173321018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).