calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol

C7H8CaO6P2+2 — CID 88679771

IUPACcalcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol
SMILESO=[P+]([O-])O[P+](=O)[O-].OCc1ccccc1.[Ca+2]
InChIInChI=1S/C7H8O.Ca.O5P2/c8-6-7-4-2-1-3-5-7;;1-6(2)5-7(3)4/h1-5,8H,6H2;;/q;+2;
InChIKeyIYBVCUQXGVEYSJ-UHFFFAOYSA-N
MW290.16 g/mol
LogP-0.16
Rot. Bonds3

About calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol

calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol (PubChem CID 88679771) has the molecular formula C7H8CaO6P2+2 and a molecular weight of 290.16 g/mol. Its IUPAC name is calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol.

Molecular Properties

Compound Namecalcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol
PubChem CID88679771
Molecular FormulaC7H8CaO6P2+2
Molecular Weight290.16 g/mol
Exact Mass289.94
IUPAC Namecalcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol
SMILESO=[P+]([O-])O[P+](=O)[O-].OCc1ccccc1.[Ca+2]
InChIInChI=1S/C7H8O.Ca.O5P2/c8-6-7-4-2-1-3-5-7;;1-6(2)5-7(3)4/h1-5,8H,6H2;;/q;+2;
InChIKeyIYBVCUQXGVEYSJ-UHFFFAOYSA-N
XLogP-0.16
TPSA109.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

calcium;oxido-oxo-phosphooxyphosphanium;prop-2-enylbenzene
CID 88679774
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
sodium;methanolate;phenylmethanol
CID 70637518
phenylmethanol;phosphane;trihydrobromide
CID 174749424
ethane-1,2-diol;phenylmethanol
CID 69228462
disodium;hydride;phenylmethanol
CID 174792747
sodium;phenylmethanol;hydroxide
CID 67303637
phenylmethanol;titanium;dihydrochloride
CID 88632851
methanol;phenylmethanol
CID 19822462
molecular hydrogen;phenylmethanol
CID 158888584

Frequently Asked Questions

What is the IUPAC name of calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol?
The IUPAC name of calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol (CID 88679771) is calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol.
What is the SMILES notation for calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol?
The canonical SMILES for calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol is O=[P+]([O-])O[P+](=O)[O-].OCc1ccccc1.[Ca+2].
What is the InChIKey of calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol?
The InChIKey is IYBVCUQXGVEYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.Ca.O5P2/c8-6-7-4-2-1-3-5-7;;1-6(2)5-7(3)4/h1-5,8H,6H2;;/q;+2;.
What are the key properties of calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol?
calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol has a molecular weight of 290.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;oxido-oxo-phosphooxyphosphanium;phenylmethanol is sourced from PubChem (CID 88679771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).