sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane

C2H2NaO6P2-3 — CID 21146371

IUPACsodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane
SMILESC=C(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+]
InChIInChI=1S/C2H6O6P2.Na/c1-2(9(3,4)5)10(6,7)8;/h1H2,(H2,3,4,5)(H2,6,7,8);/q;+1/p-4
InChIKeyVHHIFYQHVCAQPC-UHFFFAOYSA-J
MW206.97 g/mol
LogP-5.71
Rot. Bonds2

About sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane

sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane (PubChem CID 21146371) has the molecular formula C2H2NaO6P2-3 and a molecular weight of 206.97 g/mol. Its IUPAC name is sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane.

Molecular Properties

Compound Namesodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane
PubChem CID21146371
Molecular FormulaC2H2NaO6P2-3
Molecular Weight206.97 g/mol
Exact Mass206.92
IUPAC Namesodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane
SMILESC=C(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+]
InChIInChI=1S/C2H6O6P2.Na/c1-2(9(3,4)5)10(6,7)8;/h1H2,(H2,3,4,5)(H2,6,7,8);/q;+1/p-4
InChIKeyVHHIFYQHVCAQPC-UHFFFAOYSA-J
XLogP-5.71
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.97
LogP ≤ 5-5.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

trisodium;hydrogen peroxide;phosphate
CID 161125728
sodium dihydroxy(32P)phosphinate
CID 23694678
potassium 2-phosphonatooxyprop-2-enoate
CID 139597131
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
sodium;hydrogen phosphate;dodecahydrate
CID 18980410
tetrasodium;bis(dihydrogen phosphate);hydrogen phosphate
CID 19757615
disodium;dihydrogen phosphate;fluoride
CID 159057923
disodium;dihydrogen phosphate;hydride
CID 160585046
trisodium;phosphoric acid;phosphate
CID 172853200
sodium;dihydrogen phosphate;pentahydrate
CID 141311131
silver;barium(2+);2-phosphonatooxyprop-2-enoate;hydrate
CID 45048925

Frequently Asked Questions

What is the IUPAC name of sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane?
The IUPAC name of sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane (CID 21146371) is sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane.
What is the SMILES notation for sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane?
The canonical SMILES for sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane is C=C(P(=O)([O-])[O-])P(=O)([O-])[O-].[Na+].
What is the InChIKey of sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane?
The InChIKey is VHHIFYQHVCAQPC-UHFFFAOYSA-J. The full InChI is InChI=1S/C2H6O6P2.Na/c1-2(9(3,4)5)10(6,7)8;/h1H2,(H2,3,4,5)(H2,6,7,8);/q;+1/p-4.
What are the key properties of sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane?
sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane has a molecular weight of 206.97 g/mol, XLogP of -5.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium dioxido-oxo-(1-phosphonatoethenyl)-λ5-phosphane is sourced from PubChem (CID 21146371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).