CID 131848730

H17Na5O16P3 — CID 131848730

IUPAC—
SMILESO.O.O.O.O.O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na].[Na]
InChIInChI=1S/5Na.H5O10P3.6H2O/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);6*1H2
InChIKeyZFWOSYONTMXSCU-UHFFFAOYSA-N
MW480.99 g/mol
LogP-7.55
Rot. Bonds4

About CID 131848730

CID 131848730 (PubChem CID 131848730) has the molecular formula H17Na5O16P3 and a molecular weight of 480.99 g/mol.

Molecular Properties

Compound NameCID 131848730
PubChem CID131848730
Molecular FormulaH17Na5O16P3
Molecular Weight480.99 g/mol
Exact Mass480.92
IUPAC Name—
SMILESO.O.O.O.O.O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na].[Na]
InChIInChI=1S/5Na.H5O10P3.6H2O/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);6*1H2
InChIKeyZFWOSYONTMXSCU-UHFFFAOYSA-N
XLogP-7.55
TPSA359.82 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.99
LogP ≤ 5-7.55
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

[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
disodium;diphosphono hydrogen phosphate;hydride
CID 174474348
alumane;[hydroxy-[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxyphosphoryl]oxyphosphoryl] phosphono hydrogen phosphate
CID 174679314
distrontium;diphosphono hydrogen phosphate;hydride
CID 174664429
strontium;diphosphono hydrogen phosphate;hydride;indigane
CID 175142394
sodium;diphosphono hydrogen phosphate;hydride;phosphono dihydrogen phosphate
CID 174910527
barium(2+);diphosphono hydrogen phosphate;hydride;titanium
CID 174660912
cyanamide;diphosphono hydrogen phosphate
CID 174604017
dipotassium;sodium;hydride;[hydroxy(phosphonooxy)phosphoryl] phosphono hydrogen phosphate
CID 174808221
azane;dihydroxy hydrogen phosphate;diphosphono hydrogen phosphate
CID 174621290

Frequently Asked Questions

What is the IUPAC name of CID 131848730?
The IUPAC name of CID 131848730 (CID 131848730) is not available.
What is the SMILES notation for CID 131848730?
The canonical SMILES for CID 131848730 is O.O.O.O.O.O.O=P(O)(O)OP(=O)(O)OP(=O)(O)O.[Na].[Na].[Na].[Na].[Na].
What is the InChIKey of CID 131848730?
The InChIKey is ZFWOSYONTMXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/5Na.H5O10P3.6H2O/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);6*1H2.
What are the key properties of CID 131848730?
CID 131848730 has a molecular weight of 480.99 g/mol, XLogP of -7.55, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131848730 is sourced from PubChem (CID 131848730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).