sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate

H10NaO17P5 — CID 174910527

IUPACsodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/Na.H5O10P3.H4O7P2.H/c;1-11(2,3)9-13(7,8)10-12(4,5)6;1-8(2,3)7-9(4,5)6;/h;(H,7,8)(H2,1,2,3)(H2,4,5,6);(H2,1,2,3)(H2,4,5,6);/q+1;;;-1
InChIKeyVMITYCZIVIEKEZ-UHFFFAOYSA-N
MW459.92 g/mol
LogP-4.39
Rot. Bonds6

About sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate

sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate (PubChem CID 174910527) has the molecular formula H10NaO17P5 and a molecular weight of 459.92 g/mol. Its IUPAC name is sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate.

Molecular Properties

Compound Namesodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
PubChem CID174910527
Molecular FormulaH10NaO17P5
Molecular Weight459.92 g/mol
Exact Mass459.85
IUPAC Namesodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
SMILESO=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[Na+]
InChIInChI=1S/Na.H5O10P3.H4O7P2.H/c;1-11(2,3)9-13(7,8)10-12(4,5)6;1-8(2,3)7-9(4,5)6;/h;(H,7,8)(H2,1,2,3)(H2,4,5,6);(H2,1,2,3)(H2,4,5,6);/q+1;;;-1
InChIKeyVMITYCZIVIEKEZ-UHFFFAOYSA-N
XLogP-4.39
TPSA295.11 Ų
H-Bond Donors9
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.92
LogP ≤ 5-4.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
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
pentasodium;hydride;phosphono dihydrogen phosphate;hydrofluoride
CID 173313092
CID 170843855
CID 170843855
hexapotassium bis(diphosphono hydrogen phosphate)
CID 170923258
sodium;hydride;iron;manganese;phosphono dihydrogen phosphate
CID 175525205
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
sodium;barium(2+);hydride;phosphono dihydrogen phosphate;zirconium
CID 173296088

Frequently Asked Questions

What is the IUPAC name of sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate?
The IUPAC name of sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate (CID 174910527) is sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate.
What is the SMILES notation for sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate?
The canonical SMILES for sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate is O=P(O)(O)OP(=O)(O)O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[H-].[Na+].
What is the InChIKey of sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate?
The InChIKey is VMITYCZIVIEKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/Na.H5O10P3.H4O7P2.H/c;1-11(2,3)9-13(7,8)10-12(4,5)6;1-8(2,3)7-9(4,5)6;/h;(H,7,8)(H2,1,2,3)(H2,4,5,6);(H2,1,2,3)(H2,4,5,6);/q+1;;;-1.
What are the key properties of sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate?
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate has a molecular weight of 459.92 g/mol, XLogP of -4.39, 6 rotatable bonds, 9 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate is sourced from PubChem (CID 174910527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).