CID 174371087

BO4PZn — CID 174371087

IUPAC—
SMILES[B]OP(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/BH2O4P.Zn/c1-5-6(2,3)4;/h(H2,2,3,4);/q;+2/p-2
InChIKeyZSSWESYURSSDFY-UHFFFAOYSA-L
MW171.17 g/mol
LogP-2.09
Rot. Bonds1

About CID 174371087

CID 174371087 (PubChem CID 174371087) has the molecular formula BO4PZn and a molecular weight of 171.17 g/mol.

Molecular Properties

Compound NameCID 174371087
PubChem CID174371087
Molecular FormulaBO4PZn
Molecular Weight171.17 g/mol
Exact Mass169.89
IUPAC Name—
SMILES[B]OP(=O)([O-])[O-].[Zn+2]
InChIInChI=1S/BH2O4P.Zn/c1-5-6(2,3)4;/h(H2,2,3,4);/q;+2/p-2
InChIKeyZSSWESYURSSDFY-UHFFFAOYSA-L
XLogP-2.09
TPSA72.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 5-2.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

zinc;cobalt(2+);phosphonato phosphate
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zinc;manganese(2+);phosphonato phosphate
CID 175473755
dizinc;phosphonato phosphate;dihydrate
CID 173452839
sodium phosphate
CID 21225609
heptasodium;phosphate
CID 159686031
dicalcium;phosphonatooxy phosphate
CID 25022457
phosphonato phosphate
CID 644102
dipotassium;disodium;phosphate
CID 160926550
trisodium;phosphate;dodecahydrate
CID 516998
sodium;tin(4+);phosphate
CID 160930212
azanium;sodium;phosphate
CID 22506365
zinc;indium(3+);phosphate
CID 159690150

Frequently Asked Questions

What is the IUPAC name of CID 174371087?
The IUPAC name of CID 174371087 (CID 174371087) is not available.
What is the SMILES notation for CID 174371087?
The canonical SMILES for CID 174371087 is [B]OP(=O)([O-])[O-].[Zn+2].
What is the InChIKey of CID 174371087?
The InChIKey is ZSSWESYURSSDFY-UHFFFAOYSA-L. The full InChI is InChI=1S/BH2O4P.Zn/c1-5-6(2,3)4;/h(H2,2,3,4);/q;+2/p-2.
What are the key properties of CID 174371087?
CID 174371087 has a molecular weight of 171.17 g/mol, XLogP of -2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174371087 is sourced from PubChem (CID 174371087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).