disodium;diphosphono hydrogen phosphate;hydride

H7Na2O10P3 — CID 174474348

IUPACdisodium;diphosphono hydrogen phosphate;hydride
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/2Na.H5O10P3.2H/c;;1-11(2,3)9-13(7,8)10-12(4,5)6;;/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6);;/q2*+1;;2*-1
InChIKeyXAZNPIQTAAZZBF-UHFFFAOYSA-N
MW305.95 g/mol
LogP-6.46
Rot. Bonds4

About disodium;diphosphono hydrogen phosphate;hydride

disodium;diphosphono hydrogen phosphate;hydride (PubChem CID 174474348) has the molecular formula H7Na2O10P3 and a molecular weight of 305.95 g/mol. Its IUPAC name is disodium;diphosphono hydrogen phosphate;hydride.

Molecular Properties

Compound Namedisodium;diphosphono hydrogen phosphate;hydride
PubChem CID174474348
Molecular FormulaH7Na2O10P3
Molecular Weight305.95 g/mol
Exact Mass305.90
IUPAC Namedisodium;diphosphono hydrogen phosphate;hydride
SMILESO=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[H-].[Na+].[Na+]
InChIInChI=1S/2Na.H5O10P3.2H/c;;1-11(2,3)9-13(7,8)10-12(4,5)6;;/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6);;/q2*+1;;2*-1
InChIKeyXAZNPIQTAAZZBF-UHFFFAOYSA-N
XLogP-6.46
TPSA170.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.95
LogP ≤ 5-6.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
[hydroxy-[hydroxy-[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 10212960
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
CID 131848730
CID 131848730
pentasodium;hydride;phosphono dihydrogen phosphate;hydrofluoride
CID 173313092
sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium
CID 173296088

Frequently Asked Questions

What is the IUPAC name of disodium;diphosphono hydrogen phosphate;hydride?
The IUPAC name of disodium;diphosphono hydrogen phosphate;hydride (CID 174474348) is disodium;diphosphono hydrogen phosphate;hydride.
What is the SMILES notation for disodium;diphosphono hydrogen phosphate;hydride?
The canonical SMILES for disodium;diphosphono hydrogen phosphate;hydride is O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[H-].[Na+].[Na+].
What is the InChIKey of disodium;diphosphono hydrogen phosphate;hydride?
The InChIKey is XAZNPIQTAAZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/2Na.H5O10P3.2H/c;;1-11(2,3)9-13(7,8)10-12(4,5)6;;/h;;(H,7,8)(H2,1,2,3)(H2,4,5,6);;/q2*+1;;2*-1.
What are the key properties of disodium;diphosphono hydrogen phosphate;hydride?
disodium;diphosphono hydrogen phosphate;hydride has a molecular weight of 305.95 g/mol, XLogP of -6.46, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;diphosphono hydrogen phosphate;hydride is sourced from PubChem (CID 174474348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).