disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate

H3Na2O10P3 — CID 26118

IUPACdisodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)(O)OP(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.H5O10P3/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;/p-2
InChIKeyYVBGRQLITPHVOP-UHFFFAOYSA-L
MW301.92 g/mol
LogP-7.95
Rot. Bonds4

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

disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate (PubChem CID 26118) has the molecular formula H3Na2O10P3 and a molecular weight of 301.92 g/mol. Its IUPAC name is disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate.

Molecular Properties

Compound Namedisodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate
PubChem CID26118
Molecular FormulaH3Na2O10P3
Molecular Weight301.92 g/mol
Exact Mass301.87
IUPAC Namedisodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate
SMILESO=P([O-])(O)OP(=O)(O)OP(=O)([O-])O.[Na+].[Na+]
InChIInChI=1S/2Na.H5O10P3/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;/p-2
InChIKeyYVBGRQLITPHVOP-UHFFFAOYSA-L
XLogP-7.95
TPSA176.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.92
LogP ≤ 5-7.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

Disodium Pyrophosphate
CID 24451
Sodium Tripolyphosphate
CID 24455
Trisodium pyrophosphate
CID 161081
Sodium tetraphosphate
CID 197146
Disodium dihydrogen hypophosphate
CID 24535
Triphosphoric acid sodium salt
CID 16220030
Levair
CID 6453224
H2Na2O7P2
CID 6850736
Phosphoric acid, sodium zirconium(4+) salt (2:2:1)
CID 168761
CID 16160787
CID 16160787
Natriumtriphosphat
CID 16160789
Trinatriumhydrogen-diphosphat
CID 16162995

Frequently Asked Questions

What is the IUPAC name of disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate?
The IUPAC name of disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate (CID 26118) is disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate.
What is the SMILES notation for disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate?
The canonical SMILES for disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate is O=P([O-])(O)OP(=O)(O)OP(=O)([O-])O.[Na+].[Na+].
What is the InChIKey of disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate?
The InChIKey is YVBGRQLITPHVOP-UHFFFAOYSA-L. The full InChI is InChI=1S/2Na.H5O10P3/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;/p-2.
What are the key properties of disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate?
disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate has a molecular weight of 301.92 g/mol, XLogP of -7.95, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[hydroxy-[hydroxy(oxido)phosphoryl]oxyphosphoryl] hydrogen phosphate is sourced from PubChem (CID 26118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).