calcium;hydroxide;triphosphate

HCaO13P3-8 — CID 57369541

IUPACcalcium;hydroxide;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[OH-]
InChIInChI=1S/Ca.3H3O4P.H2O/c;3*1-5(2,3)4;/h;3*(H3,1,2,3,4);1H2/q+2;;;;/p-10
InChIKeyFJZSNVOPYOYIKJ-UHFFFAOYSA-D
MW342.00 g/mol
LogP-9.03
Rot. Bonds

About calcium;hydroxide;triphosphate

calcium;hydroxide;triphosphate (PubChem CID 57369541) has the molecular formula HCaO13P3-8 and a molecular weight of 342.00 g/mol. Its IUPAC name is calcium;hydroxide;triphosphate.

Molecular Properties

Compound Namecalcium;hydroxide;triphosphate
PubChem CID57369541
Molecular FormulaHCaO13P3-8
Molecular Weight342.00 g/mol
Exact Mass341.83
IUPAC Namecalcium;hydroxide;triphosphate
SMILESO=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[OH-]
InChIInChI=1S/Ca.3H3O4P.H2O/c;3*1-5(2,3)4;/h;3*(H3,1,2,3,4);1H2/q+2;;;;/p-10
InChIKeyFJZSNVOPYOYIKJ-UHFFFAOYSA-D
XLogP-9.03
TPSA288.75 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.00
LogP ≤ 5-9.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze calcium;hydroxide;triphosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of calcium;hydroxide;triphosphate?
The IUPAC name of calcium;hydroxide;triphosphate (CID 57369541) is calcium;hydroxide;triphosphate.
What is the SMILES notation for calcium;hydroxide;triphosphate?
The canonical SMILES for calcium;hydroxide;triphosphate is O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].[Ca+2].[OH-].
What is the InChIKey of calcium;hydroxide;triphosphate?
The InChIKey is FJZSNVOPYOYIKJ-UHFFFAOYSA-D. The full InChI is InChI=1S/Ca.3H3O4P.H2O/c;3*1-5(2,3)4;/h;3*(H3,1,2,3,4);1H2/q+2;;;;/p-10.
What are the key properties of calcium;hydroxide;triphosphate?
calcium;hydroxide;triphosphate has a molecular weight of 342.00 g/mol, XLogP of -9.03, 0 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;hydroxide;triphosphate is sourced from PubChem (CID 57369541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).