disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate

C9H9Na2O5P — CID 13077919

IUPACdisodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate
SMILESCc1cccc(C)c1OP(=O)([O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C9H11O5P.2Na/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11;;/h3-5H,1-2H3,(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyRXRPOMKANXQNMI-UHFFFAOYSA-L
MW274.12 g/mol
LogP-5.41
Rot. Bonds3

About disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate

disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate (PubChem CID 13077919) has the molecular formula C9H9Na2O5P and a molecular weight of 274.12 g/mol. Its IUPAC name is disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate.

Molecular Properties

Compound Namedisodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate
PubChem CID13077919
Molecular FormulaC9H9Na2O5P
Molecular Weight274.12 g/mol
Exact Mass274.00
IUPAC Namedisodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate
SMILESCc1cccc(C)c1OP(=O)([O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C9H11O5P.2Na/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11;;/h3-5H,1-2H3,(H,10,11)(H,12,13);;/q;2*+1/p-2
InChIKeyRXRPOMKANXQNMI-UHFFFAOYSA-L
XLogP-5.41
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 5-5.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate?
The IUPAC name of disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate (CID 13077919) is disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate.
What is the SMILES notation for disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate?
The canonical SMILES for disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate is Cc1cccc(C)c1OP(=O)([O-])C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate?
The InChIKey is RXRPOMKANXQNMI-UHFFFAOYSA-L. The full InChI is InChI=1S/C9H11O5P.2Na/c1-6-4-3-5-7(2)8(6)14-15(12,13)9(10)11;;/h3-5H,1-2H3,(H,10,11)(H,12,13);;/q;2*+1/p-2.
What are the key properties of disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate?
disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate has a molecular weight of 274.12 g/mol, XLogP of -5.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[(2,6-dimethylphenoxy)-oxidophosphoryl]formate is sourced from PubChem (CID 13077919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).