disodium;[ethoxy(oxido)phosphoryl]formate

C3H5Na2O5P — CID 13077914

IUPACdisodium;[ethoxy(oxido)phosphoryl]formate
SMILESCCOP(=O)([O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H7O5P.2Na/c1-2-8-9(6,7)3(4)5;;/h2H2,1H3,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKeyHDPIQTPOVWZZLI-UHFFFAOYSA-L
MW198.02 g/mol
LogP-7.07
Rot. Bonds3

About disodium;[ethoxy(oxido)phosphoryl]formate

disodium;[ethoxy(oxido)phosphoryl]formate (PubChem CID 13077914) has the molecular formula C3H5Na2O5P and a molecular weight of 198.02 g/mol. Its IUPAC name is disodium;[ethoxy(oxido)phosphoryl]formate.

Molecular Properties

Compound Namedisodium;[ethoxy(oxido)phosphoryl]formate
PubChem CID13077914
Molecular FormulaC3H5Na2O5P
Molecular Weight198.02 g/mol
Exact Mass197.97
IUPAC Namedisodium;[ethoxy(oxido)phosphoryl]formate
SMILESCCOP(=O)([O-])C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C3H7O5P.2Na/c1-2-8-9(6,7)3(4)5;;/h2H2,1H3,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKeyHDPIQTPOVWZZLI-UHFFFAOYSA-L
XLogP-7.07
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 5-7.07
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;[ethoxy(oxido)phosphoryl]formate?
The IUPAC name of disodium;[ethoxy(oxido)phosphoryl]formate (CID 13077914) is disodium;[ethoxy(oxido)phosphoryl]formate.
What is the SMILES notation for disodium;[ethoxy(oxido)phosphoryl]formate?
The canonical SMILES for disodium;[ethoxy(oxido)phosphoryl]formate is CCOP(=O)([O-])C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;[ethoxy(oxido)phosphoryl]formate?
The InChIKey is HDPIQTPOVWZZLI-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7O5P.2Na/c1-2-8-9(6,7)3(4)5;;/h2H2,1H3,(H,4,5)(H,6,7);;/q;2*+1/p-2.
What are the key properties of disodium;[ethoxy(oxido)phosphoryl]formate?
disodium;[ethoxy(oxido)phosphoryl]formate has a molecular weight of 198.02 g/mol, XLogP of -7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[ethoxy(oxido)phosphoryl]formate is sourced from PubChem (CID 13077914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).