calcium bis(1-hydroxyethyl-oxido-oxophosphanium)

C4H10CaO6P2+2 — CID 13389887

IUPACcalcium bis(1-hydroxyethyl-oxido-oxophosphanium)
SMILESCC(O)[P+](=O)[O-].CC(O)[P+](=O)[O-].[Ca+2]
InChIInChI=1S/2C2H5O3P.Ca/c2*1-2(3)6(4)5;/h2*2-3H,1H3;/q;;+2
InChIKeyJOIAPVFWOKXKJL-UHFFFAOYSA-N
MW256.14 g/mol
LogP-1.53
Rot. Bonds2

About calcium bis(1-hydroxyethyl-oxido-oxophosphanium)

calcium bis(1-hydroxyethyl-oxido-oxophosphanium) (PubChem CID 13389887) has the molecular formula C4H10CaO6P2+2 and a molecular weight of 256.14 g/mol. Its IUPAC name is calcium bis(1-hydroxyethyl-oxido-oxophosphanium).

Molecular Properties

Compound Namecalcium bis(1-hydroxyethyl-oxido-oxophosphanium)
PubChem CID13389887
Molecular FormulaC4H10CaO6P2+2
Molecular Weight256.14 g/mol
Exact Mass255.96
IUPAC Namecalcium bis(1-hydroxyethyl-oxido-oxophosphanium)
SMILESCC(O)[P+](=O)[O-].CC(O)[P+](=O)[O-].[Ca+2]
InChIInChI=1S/2C2H5O3P.Ca/c2*1-2(3)6(4)5;/h2*2-3H,1H3;/q;;+2
InChIKeyJOIAPVFWOKXKJL-UHFFFAOYSA-N
XLogP-1.53
TPSA120.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.14
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium bis(1-hydroxyethyl-oxido-oxophosphanium)?
The IUPAC name of calcium bis(1-hydroxyethyl-oxido-oxophosphanium) (CID 13389887) is calcium bis(1-hydroxyethyl-oxido-oxophosphanium).
What is the SMILES notation for calcium bis(1-hydroxyethyl-oxido-oxophosphanium)?
The canonical SMILES for calcium bis(1-hydroxyethyl-oxido-oxophosphanium) is CC(O)[P+](=O)[O-].CC(O)[P+](=O)[O-].[Ca+2].
What is the InChIKey of calcium bis(1-hydroxyethyl-oxido-oxophosphanium)?
The InChIKey is JOIAPVFWOKXKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2H5O3P.Ca/c2*1-2(3)6(4)5;/h2*2-3H,1H3;/q;;+2.
What are the key properties of calcium bis(1-hydroxyethyl-oxido-oxophosphanium)?
calcium bis(1-hydroxyethyl-oxido-oxophosphanium) has a molecular weight of 256.14 g/mol, XLogP of -1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium bis(1-hydroxyethyl-oxido-oxophosphanium) is sourced from PubChem (CID 13389887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).