dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)

Ca2NaO15P5 — CID 138394183

IUPACdicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[Ca+2].[Na+]
InChIInChI=1S/2Ca.Na.5HO3P/c;;;5*1-4(2)3/h;;;5*(H,1,2,3)/q2*+2;+1;;;;;/p-5
InChIKeyCOSVUCOUDYLRQP-UHFFFAOYSA-I
MW498.00 g/mol
LogP-11.94
Rot. Bonds

About dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)

dicalcium;sodium;pentakis(dioxido(oxo)phosphanium) (PubChem CID 138394183) has the molecular formula Ca2NaO15P5 and a molecular weight of 498.00 g/mol. Its IUPAC name is dicalcium;sodium;pentakis(dioxido(oxo)phosphanium).

Molecular Properties

Compound Namedicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
PubChem CID138394183
Molecular FormulaCa2NaO15P5
Molecular Weight498.00 g/mol
Exact Mass497.71
IUPAC Namedicalcium;sodium;pentakis(dioxido(oxo)phosphanium)
SMILESO=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[Ca+2].[Na+]
InChIInChI=1S/2Ca.Na.5HO3P/c;;;5*1-4(2)3/h;;;5*(H,1,2,3)/q2*+2;+1;;;;;/p-5
InChIKeyCOSVUCOUDYLRQP-UHFFFAOYSA-I
XLogP-11.94
TPSA315.95 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.00
LogP ≤ 5-11.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

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Related Compounds

calcium;bis(dioxido(oxo)phosphanium);hydron
CID 158864827
aluminum;sodium;tetrakis(dioxido(oxo)phosphanium)
CID 173111312
disodium;dioxido(oxo)phosphanium;ethene
CID 175606355
CID 19762996
CID 19762996
dioxido(oxo)phosphanium;nickel(2+)
CID 15829259
dimagnesium bis(dioxido(oxo)phosphanium)
CID 157296666
bis(dioxido(oxo)phosphanium);bis(tin(2+) dihydride)
CID 173093739
pentakis(dioxido(oxo)phosphanium);bis(niobium(5+))
CID 158087475
bis(antimony(3+));tris(dioxido(oxo)phosphanium)
CID 157498599
carbanide;tris(dioxido(oxo)phosphanium);bis(zirconium(4+))
CID 174768378
dioxido(oxo)phosphanium;ethene
CID 19438484
lithium;dioxido(oxo)phosphanium;iron(2+)
CID 161433498

Frequently Asked Questions

What is the IUPAC name of dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)?
The IUPAC name of dicalcium;sodium;pentakis(dioxido(oxo)phosphanium) (CID 138394183) is dicalcium;sodium;pentakis(dioxido(oxo)phosphanium).
What is the SMILES notation for dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)?
The canonical SMILES for dicalcium;sodium;pentakis(dioxido(oxo)phosphanium) is O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].O=[P+]([O-])[O-].[Ca+2].[Ca+2].[Na+].
What is the InChIKey of dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)?
The InChIKey is COSVUCOUDYLRQP-UHFFFAOYSA-I. The full InChI is InChI=1S/2Ca.Na.5HO3P/c;;;5*1-4(2)3/h;;;5*(H,1,2,3)/q2*+2;+1;;;;;/p-5.
What are the key properties of dicalcium;sodium;pentakis(dioxido(oxo)phosphanium)?
dicalcium;sodium;pentakis(dioxido(oxo)phosphanium) has a molecular weight of 498.00 g/mol, XLogP of -11.94, 0 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for dicalcium;sodium;pentakis(dioxido(oxo)phosphanium) is sourced from PubChem (CID 138394183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).