calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide

H5CaNa2O9PSi — CID 175303842

IUPACcalcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide
SMILESO=P(O)(O)O.[Ca+2].[Na+].[Na+].[O-][Si]([O-])([O-])O.[OH-]
InChIInChI=1S/Ca.2Na.H3O4P.HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;(H3,1,2,3,4);1H;1H2/q+2;2*+1;;-3;/p-1
InChIKeyZOHYHVFFWMMQQL-UHFFFAOYSA-M
MW294.15 g/mol
LogP-11.98
Rot. Bonds

About calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide

calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide (PubChem CID 175303842) has the molecular formula H5CaNa2O9PSi and a molecular weight of 294.15 g/mol. Its IUPAC name is calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide.

Molecular Properties

Compound Namecalcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide
PubChem CID175303842
Molecular FormulaH5CaNa2O9PSi
Molecular Weight294.15 g/mol
Exact Mass293.89
IUPAC Namecalcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide
SMILESO=P(O)(O)O.[Ca+2].[Na+].[Na+].[O-][Si]([O-])([O-])O.[OH-]
InChIInChI=1S/Ca.2Na.H3O4P.HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;(H3,1,2,3,4);1H;1H2/q+2;2*+1;;-3;/p-1
InChIKeyZOHYHVFFWMMQQL-UHFFFAOYSA-M
XLogP-11.98
TPSA197.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 5-11.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide with MolForge

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

Launch Full Analysis

Related Compounds

disodium;dihydroxy(dioxido)silane;phosphoric acid
CID 174663311
calcium;sodium;phosphoric acid;phosphate
CID 173179477
aluminum;sodium;hydroxy(trioxido)silane;hydroxide
CID 173015351
hydroxy(trioxido)silane;thulium(3+)
CID 175730801
potassium;disodium;dihydrogen phosphate;phosphoric acid;dihydroxide
CID 159576938
phosphoric acid;silicic acid;zirconium
CID 173023136
triacontacalcium;phosphoric acid;icosaphosphate
CID 173080509
trisodium;phosphoric acid;phosphate
CID 172853200
sodium;hydride;phosphoric acid
CID 173151585
dicalcium;hydron;phosphoric acid
CID 173008469
oxoniobium;phosphoric acid
CID 174337066
molybdenum;phosphoric acid;zirconium
CID 173324853

Frequently Asked Questions

What is the IUPAC name of calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide?
The IUPAC name of calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide (CID 175303842) is calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide.
What is the SMILES notation for calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide?
The canonical SMILES for calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide is O=P(O)(O)O.[Ca+2].[Na+].[Na+].[O-][Si]([O-])([O-])O.[OH-].
What is the InChIKey of calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide?
The InChIKey is ZOHYHVFFWMMQQL-UHFFFAOYSA-M. The full InChI is InChI=1S/Ca.2Na.H3O4P.HO4Si.H2O/c;;;2*1-5(2,3)4;/h;;;(H3,1,2,3,4);1H;1H2/q+2;2*+1;;-3;/p-1.
What are the key properties of calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide?
calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide has a molecular weight of 294.15 g/mol, XLogP of -11.98, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;disodium;hydroxy(trioxido)silane;phosphoric acid;hydroxide is sourced from PubChem (CID 175303842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).