sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

C3H3NaO5P+ — CID 23709778

IUPACsodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESO=C1OCC([P+](=O)[O-])O1.[Na+]
InChIInChI=1S/C3H3O5P.Na/c4-3-7-1-2(8-3)9(5)6;/h2H,1H2;/q;+1
InChIKeyHPEDHHVIQNVQBK-UHFFFAOYSA-N
MW173.02 g/mol
LogP-3.41
Rot. Bonds1

About sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium

sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (PubChem CID 23709778) has the molecular formula C3H3NaO5P+ and a molecular weight of 173.02 g/mol. Its IUPAC name is sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.

Molecular Properties

Compound Namesodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
PubChem CID23709778
Molecular FormulaC3H3NaO5P+
Molecular Weight173.02 g/mol
Exact Mass172.96
IUPAC Namesodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium
SMILESO=C1OCC([P+](=O)[O-])O1.[Na+]
InChIInChI=1S/C3H3O5P.Na/c4-3-7-1-2(8-3)9(5)6;/h2H,1H2;/q;+1
InChIKeyHPEDHHVIQNVQBK-UHFFFAOYSA-N
XLogP-3.41
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.02
LogP ≤ 5-3.41
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 sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The IUPAC name of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium (CID 23709778) is sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium.
What is the SMILES notation for sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The canonical SMILES for sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is O=C1OCC([P+](=O)[O-])O1.[Na+].
What is the InChIKey of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
The InChIKey is HPEDHHVIQNVQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3O5P.Na/c4-3-7-1-2(8-3)9(5)6;/h2H,1H2;/q;+1.
What are the key properties of sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium?
sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium has a molecular weight of 173.02 g/mol, XLogP of -3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium oxido-oxo-(2-oxo-1,3-dioxolan-4-yl)phosphanium is sourced from PubChem (CID 23709778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).