disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate

H2Na2O7P2 — CID 24451

IUPACdisodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyGYQBBRRVRKFJRG-UHFFFAOYSA-L
MW221.94 g/mol
LogP-8.07
Rot. Bonds2

About disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate

disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate (PubChem CID 24451) has the molecular formula H2Na2O7P2 and a molecular weight of 221.94 g/mol. Its IUPAC name is disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate.

Molecular Properties

Compound Namedisodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate
PubChem CID24451
Molecular FormulaH2Na2O7P2
Molecular Weight221.94 g/mol
Exact Mass221.91
IUPAC Namedisodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2
InChIKeyGYQBBRRVRKFJRG-UHFFFAOYSA-L
XLogP-8.07
TPSA129.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.94
LogP ≤ 5-8.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Sodium Phosphate, Dibasic
CID 24203
Tetrasodium Pyrophosphate
CID 24403
Sodium Phosphate P-32
CID 71180
Trisodium pyrophosphate
CID 161081
Disodium dihydrogen hypophosphate
CID 24535
Triphosphoric acid, sodium salt (1:?)
CID 26118
Phosphoric acid, disodium salt, hydrate
CID 61488
Sodium metaphosphate oxide (Na15(PO3)13O)
CID 16132028
Medronate trisodium
CID 6100359
Sodium phosphate, tribasic, monohydrate
CID 21960685
H2Na2O7P2
CID 6850736
CID 16160787
CID 16160787

Frequently Asked Questions

What is the IUPAC name of disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate?
The IUPAC name of disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate (CID 24451) is disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate.
What is the SMILES notation for disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate?
The canonical SMILES for disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate is O=P([O-])(O)OP(=O)([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate?
The InChIKey is GYQBBRRVRKFJRG-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+1;/p-2.
What are the key properties of disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate?
disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate has a molecular weight of 221.94 g/mol, XLogP of -8.07, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[hydroxy(oxido)phosphoryl] hydrogen phosphate is sourced from PubChem (CID 24451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).