CID 131864467

H4CaI2O7 — CID 131864467

IUPAC—
SMILESO.[Ca].[O-][I+2]([O-])O.[O-][I+2]([O-])O
InChIInChI=1S/Ca.2HIO3.H2O/c;2*2-1(3)4;/h;2*2H;1H2
InChIKeyWIQJUGULCSGQAG-UHFFFAOYSA-N
MW409.91 g/mol
LogP-13.07
Rot. Bonds

About CID 131864467

CID 131864467 (PubChem CID 131864467) has the molecular formula H4CaI2O7 and a molecular weight of 409.91 g/mol.

Molecular Properties

Compound NameCID 131864467
PubChem CID131864467
Molecular FormulaH4CaI2O7
Molecular Weight409.91 g/mol
Exact Mass409.77
IUPAC Name—
SMILESO.[Ca].[O-][I+2]([O-])O.[O-][I+2]([O-])O
InChIInChI=1S/Ca.2HIO3.H2O/c;2*2-1(3)4;/h;2*2H;1H2
InChIKeyWIQJUGULCSGQAG-UHFFFAOYSA-N
XLogP-13.07
TPSA164.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.91
LogP ≤ 5-13.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

iodic acid;nickel
CID 158354352
CID 159776919
CID 159776919
zinc iodic acid
CID 11776476
tris(iodic acid);phosphane
CID 172742758
CID 57461607
CID 57461607
ethane;bis(iodic acid)
CID 159949857
hypochlorous acid;iodic acid
CID 158662456
iodic acid;propan-2-amine
CID 161358666
magnesium;diiodate;tetrahydrate
CID 57348022
potassium;iodate;hydrate
CID 172718603
iodic acid;sulfurothioic O-acid;sulfurous acid
CID 157272960
cadmium;methanol;iodate
CID 176905465

Frequently Asked Questions

What is the IUPAC name of CID 131864467?
The IUPAC name of CID 131864467 (CID 131864467) is not available.
What is the SMILES notation for CID 131864467?
The canonical SMILES for CID 131864467 is O.[Ca].[O-][I+2]([O-])O.[O-][I+2]([O-])O.
What is the InChIKey of CID 131864467?
The InChIKey is WIQJUGULCSGQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/Ca.2HIO3.H2O/c;2*2-1(3)4;/h;2*2H;1H2.
What are the key properties of CID 131864467?
CID 131864467 has a molecular weight of 409.91 g/mol, XLogP of -13.07, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131864467 is sourced from PubChem (CID 131864467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).