phosphonato phosphate;decahydrate

H20O17P2-4 — CID 22385493

IUPACphosphonato phosphate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H4O7P2.10H2O/c1-8(2,3)7-9(4,5)6;;;;;;;;;;/h(H2,1,2,3)(H2,4,5,6);10*1H2/p-4
InChIKeyCPKAQPSZFSEJMN-UHFFFAOYSA-J
MW354.09 g/mol
LogP-11.59
Rot. Bonds2

About phosphonato phosphate;decahydrate

phosphonato phosphate;decahydrate (PubChem CID 22385493) has the molecular formula H20O17P2-4 and a molecular weight of 354.09 g/mol. Its IUPAC name is phosphonato phosphate;decahydrate.

Molecular Properties

Compound Namephosphonato phosphate;decahydrate
PubChem CID22385493
Molecular FormulaH20O17P2-4
Molecular Weight354.09 g/mol
Exact Mass354.02
IUPAC Namephosphonato phosphate;decahydrate
SMILESO.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-]
InChIInChI=1S/H4O7P2.10H2O/c1-8(2,3)7-9(4,5)6;;;;;;;;;;/h(H2,1,2,3)(H2,4,5,6);10*1H2/p-4
InChIKeyCPKAQPSZFSEJMN-UHFFFAOYSA-J
XLogP-11.59
TPSA450.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.09
LogP ≤ 5-11.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

phosphonato phosphate;bis(tin(2+));hydrate
CID 91886673
copper(1+);phosphonato phosphate;trihydrate
CID 18328454
dizinc;phosphonato phosphate;dihydrate
CID 173452839
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
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
sodium;chromium(3+);phosphonato phosphate
CID 159071425

Frequently Asked Questions

What is the IUPAC name of phosphonato phosphate;decahydrate?
The IUPAC name of phosphonato phosphate;decahydrate (CID 22385493) is phosphonato phosphate;decahydrate.
What is the SMILES notation for phosphonato phosphate;decahydrate?
The canonical SMILES for phosphonato phosphate;decahydrate is O.O.O.O.O.O.O.O.O.O.O=P([O-])([O-])OP(=O)([O-])[O-].
What is the InChIKey of phosphonato phosphate;decahydrate?
The InChIKey is CPKAQPSZFSEJMN-UHFFFAOYSA-J. The full InChI is InChI=1S/H4O7P2.10H2O/c1-8(2,3)7-9(4,5)6;;;;;;;;;;/h(H2,1,2,3)(H2,4,5,6);10*1H2/p-4.
What are the key properties of phosphonato phosphate;decahydrate?
phosphonato phosphate;decahydrate has a molecular weight of 354.09 g/mol, XLogP of -11.59, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonato phosphate;decahydrate is sourced from PubChem (CID 22385493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).