CID 175204732

H7BCaKO4PSr — CID 175204732

IUPAC—
SMILES[B]OP(=O)(O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[K+].[Sr+2]
InChIInChI=1S/BH2O4P.Ca.K.Sr.5H/c1-5-6(2,3)4;;;;;;;;/h(H2,2,3,4);;;;;;;;/q;+2;+1;+2;5*-1
InChIKeyDQVIQTYTFQKGFW-UHFFFAOYSA-N
MW279.63 g/mol
LogP-4.02
Rot. Bonds1

About CID 175204732

CID 175204732 (PubChem CID 175204732) has the molecular formula H7BCaKO4PSr and a molecular weight of 279.63 g/mol.

Molecular Properties

Compound NameCID 175204732
PubChem CID175204732
Molecular FormulaH7BCaKO4PSr
Molecular Weight279.63 g/mol
Exact Mass279.85
IUPAC Name—
SMILES[B]OP(=O)(O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[K+].[Sr+2]
InChIInChI=1S/BH2O4P.Ca.K.Sr.5H/c1-5-6(2,3)4;;;;;;;;/h(H2,2,3,4);;;;;;;;/q;+2;+1;+2;5*-1
InChIKeyDQVIQTYTFQKGFW-UHFFFAOYSA-N
XLogP-4.02
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.63
LogP ≤ 5-4.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 174829679
CID 174829679
CID 174916499
CID 174916499
calcium;tetrapotassium;hydride;phosphono dihydrogen phosphate
CID 175271302
calcium;hydride;hydroxy dihydrogen phosphate
CID 174606919
pentacalcium;hydride;phosphono dihydrogen phosphate
CID 173269234
dicalcium;potassium;hydride;phosphoric acid;hydrochloride
CID 174488333
potassium;hydride;phosphono dihydrogen phosphate;hydrate
CID 173371445
potassium;amino dihydrogen phosphate;hydride
CID 174393027
strontium;europium;hydride;phosphono dihydrogen phosphate
CID 174763145
potassium;hydride;phosphono dihydrogen phosphate;zinc
CID 174606064
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
trimagnesium;dipotassium;hydride;phosphono dihydrogen phosphate
CID 174478258

Frequently Asked Questions

What is the IUPAC name of CID 175204732?
The IUPAC name of CID 175204732 (CID 175204732) is not available.
What is the SMILES notation for CID 175204732?
The canonical SMILES for CID 175204732 is [B]OP(=O)(O)O.[Ca+2].[H-].[H-].[H-].[H-].[H-].[K+].[Sr+2].
What is the InChIKey of CID 175204732?
The InChIKey is DQVIQTYTFQKGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/BH2O4P.Ca.K.Sr.5H/c1-5-6(2,3)4;;;;;;;;/h(H2,2,3,4);;;;;;;;/q;+2;+1;+2;5*-1.
What are the key properties of CID 175204732?
CID 175204732 has a molecular weight of 279.63 g/mol, XLogP of -4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175204732 is sourced from PubChem (CID 175204732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).