disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane

CCl2Na2O6P2-2 — CID 23619782

IUPACdisodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])C(Cl)(Cl)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-4
InChIKeyHJKBJIYDJLVSAO-UHFFFAOYSA-J
MW286.84 g/mol
LogP-8.09
Rot. Bonds2

About disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane

disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane (PubChem CID 23619782) has the molecular formula CCl2Na2O6P2-2 and a molecular weight of 286.84 g/mol. Its IUPAC name is disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namedisodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
PubChem CID23619782
Molecular FormulaCCl2Na2O6P2-2
Molecular Weight286.84 g/mol
Exact Mass285.84
IUPAC Namedisodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])C(Cl)(Cl)P(=O)([O-])[O-].[Na+].[Na+]
InChIInChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-4
InChIKeyHJKBJIYDJLVSAO-UHFFFAOYSA-J
XLogP-8.09
TPSA126.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.84
LogP ≤ 5-8.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane;bis(lead(2+))
CID 88723359
trisodium;dysprosium(3+);diphosphate
CID 6453280
trisodium;[dichloro(phosphonato)methyl]-propan-2-yloxyphosphinate
CID 15786046
disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate
CID 140533737
sodium phosphate
CID 21225609
dysprosium(3+) phosphate
CID 14671408
heptasodium;phosphate
CID 159686031
dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
CID 19347926
dipotassium;disodium;phosphate
CID 160926550
dysprosium(3+);lanthanum(3+);diphosphate
CID 162178932
trisodium;phosphate;pentahydrate
CID 19993446
azanium;sodium;phosphate
CID 22506365

Frequently Asked Questions

What is the IUPAC name of disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane?
The IUPAC name of disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane (CID 23619782) is disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane?
The canonical SMILES for disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane is O=P([O-])([O-])C(Cl)(Cl)P(=O)([O-])[O-].[Na+].[Na+].
What is the InChIKey of disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane?
The InChIKey is HJKBJIYDJLVSAO-UHFFFAOYSA-J. The full InChI is InChI=1S/CH4Cl2O6P2.2Na/c2-1(3,10(4,5)6)11(7,8)9;;/h(H2,4,5,6)(H2,7,8,9);;/q;2*+1/p-4.
What are the key properties of disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane?
disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane has a molecular weight of 286.84 g/mol, XLogP of -8.09, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 23619782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).