hexasodium;hydride;hydron;phosphonato phosphate

H6Na6O7P2 — CID 173410016

IUPAChexasodium;hydride;hydron;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[H+].[H+].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/6Na.H4O7P2.4H/c;;;;;;1-8(2,3)7-9(4,5)6;;;;/h;;;;;;(H2,1,2,3)(H2,4,5,6);;;;/q6*+1;;4*-1/p-2
InChIKeyYVRJNWNGQKPKSZ-UHFFFAOYSA-L
MW317.93 g/mol
LogP-20.64
Rot. Bonds2

About hexasodium;hydride;hydron;phosphonato phosphate

hexasodium;hydride;hydron;phosphonato phosphate (PubChem CID 173410016) has the molecular formula H6Na6O7P2 and a molecular weight of 317.93 g/mol. Its IUPAC name is hexasodium;hydride;hydron;phosphonato phosphate.

Molecular Properties

Compound Namehexasodium;hydride;hydron;phosphonato phosphate
PubChem CID173410016
Molecular FormulaH6Na6O7P2
Molecular Weight317.93 g/mol
Exact Mass317.90
IUPAC Namehexasodium;hydride;hydron;phosphonato phosphate
SMILESO=P([O-])([O-])OP(=O)([O-])[O-].[H+].[H+].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/6Na.H4O7P2.4H/c;;;;;;1-8(2,3)7-9(4,5)6;;;;/h;;;;;;(H2,1,2,3)(H2,4,5,6);;;;/q6*+1;;4*-1/p-2
InChIKeyYVRJNWNGQKPKSZ-UHFFFAOYSA-L
XLogP-20.64
TPSA135.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.93
LogP ≤ 5-20.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

bis(barium(2+));hydron;phosphonato phosphate
CID 173080237
phosphonato phosphate
CID 644102
tetrakis(cobalt(3+));phosphonato phosphate
CID 159266783
phosphonato phosphate;bis(titanium(4+))
CID 158284224
phosphonato phosphate;decahydrate
CID 22385493
tetrapotassium;tetrasodium;phosphonato phosphate
CID 19872331
pentasodium;phosphonato phosphate;hydroxide
CID 158792062
heptasodium;tetrakis(iron(3+));phosphonato phosphate
CID 56846460
mercury;phosphonato phosphate
CID 157352193
sodium;chromium(3+);phosphonato phosphate
CID 159071425
pentasodium;phosphonato phosphate;fluoride
CID 23202687
phosphonato phosphate;tetrakis(thallium(1+))
CID 22764813

Frequently Asked Questions

What is the IUPAC name of hexasodium;hydride;hydron;phosphonato phosphate?
The IUPAC name of hexasodium;hydride;hydron;phosphonato phosphate (CID 173410016) is hexasodium;hydride;hydron;phosphonato phosphate.
What is the SMILES notation for hexasodium;hydride;hydron;phosphonato phosphate?
The canonical SMILES for hexasodium;hydride;hydron;phosphonato phosphate is O=P([O-])([O-])OP(=O)([O-])[O-].[H+].[H+].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;hydride;hydron;phosphonato phosphate?
The InChIKey is YVRJNWNGQKPKSZ-UHFFFAOYSA-L. The full InChI is InChI=1S/6Na.H4O7P2.4H/c;;;;;;1-8(2,3)7-9(4,5)6;;;;/h;;;;;;(H2,1,2,3)(H2,4,5,6);;;;/q6*+1;;4*-1/p-2.
What are the key properties of hexasodium;hydride;hydron;phosphonato phosphate?
hexasodium;hydride;hydron;phosphonato phosphate has a molecular weight of 317.93 g/mol, XLogP of -20.64, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;hydride;hydron;phosphonato phosphate is sourced from PubChem (CID 173410016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).