dizinc;phosphonato phosphate;dihydrate

H4O9P2Zn2 — CID 173452839

IUPACdizinc;phosphonato phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/H4O7P2.2H2O.2Zn/c1-8(2,3)7-9(4,5)6;;;;/h(H2,1,2,3)(H2,4,5,6);2*1H2;;/q;;;2*+2/p-4
InChIKeyBLEZBGPKMPTCPP-UHFFFAOYSA-J
MW340.75 g/mol
LogP-4.99
Rot. Bonds2

About dizinc;phosphonato phosphate;dihydrate

dizinc;phosphonato phosphate;dihydrate (PubChem CID 173452839) has the molecular formula H4O9P2Zn2 and a molecular weight of 340.75 g/mol. Its IUPAC name is dizinc;phosphonato phosphate;dihydrate.

Molecular Properties

Compound Namedizinc;phosphonato phosphate;dihydrate
PubChem CID173452839
Molecular FormulaH4O9P2Zn2
Molecular Weight340.75 g/mol
Exact Mass337.79
IUPAC Namedizinc;phosphonato phosphate;dihydrate
SMILESO.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Zn+2].[Zn+2]
InChIInChI=1S/H4O7P2.2H2O.2Zn/c1-8(2,3)7-9(4,5)6;;;;/h(H2,1,2,3)(H2,4,5,6);2*1H2;;/q;;;2*+2/p-4
InChIKeyBLEZBGPKMPTCPP-UHFFFAOYSA-J
XLogP-4.99
TPSA198.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.75
LogP ≤ 5-4.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate;decahydrate
CID 22385493
phosphonato phosphate;bis(tin(2+));hydrate
CID 91886673
zinc;cobalt(2+);phosphonato phosphate
CID 159352499
zinc;manganese(2+);phosphonato phosphate
CID 175473755
copper(1+);phosphonato phosphate;trihydrate
CID 18328454
phosphonato phosphate
CID 644102
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
phosphonato phosphate;bis(titanium(4+))
CID 158284224
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;fluoride
CID 23202687
mercury;phosphonato phosphate
CID 157352193

Frequently Asked Questions

What is the IUPAC name of dizinc;phosphonato phosphate;dihydrate?
The IUPAC name of dizinc;phosphonato phosphate;dihydrate (CID 173452839) is dizinc;phosphonato phosphate;dihydrate.
What is the SMILES notation for dizinc;phosphonato phosphate;dihydrate?
The canonical SMILES for dizinc;phosphonato phosphate;dihydrate is O.O.O=P([O-])([O-])OP(=O)([O-])[O-].[Zn+2].[Zn+2].
What is the InChIKey of dizinc;phosphonato phosphate;dihydrate?
The InChIKey is BLEZBGPKMPTCPP-UHFFFAOYSA-J. The full InChI is InChI=1S/H4O7P2.2H2O.2Zn/c1-8(2,3)7-9(4,5)6;;;;/h(H2,1,2,3)(H2,4,5,6);2*1H2;;/q;;;2*+2/p-4.
What are the key properties of dizinc;phosphonato phosphate;dihydrate?
dizinc;phosphonato phosphate;dihydrate has a molecular weight of 340.75 g/mol, XLogP of -4.99, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dizinc;phosphonato phosphate;dihydrate is sourced from PubChem (CID 173452839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).