heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene

C14H27Na7O10P4+4 — CID 173444035

IUPACheptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene
SMILESCc1ccccc1.Cc1ccccc1.O=[P+](O)O[P+](=O)O.O=[P+](O)O[P+](=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C7H8.7Na.2O5P2.7H/c2*1-7-5-3-2-4-6-7;;;;;;;;2*1-6(2)5-7(3)4;;;;;;;/h2*2-6H,1H3;;;;;;;;;;;;;;;;/q;;7*+1;;;7*-1/p+4
InChIKeySYIYDCGCUMJSDZ-UHFFFAOYSA-R
MW640.19 g/mol
LogP-15.59
Rot. Bonds4

About heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene

heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene (PubChem CID 173444035) has the molecular formula C14H27Na7O10P4+4 and a molecular weight of 640.19 g/mol. Its IUPAC name is heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene.

Molecular Properties

Compound Nameheptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene
PubChem CID173444035
Molecular FormulaC14H27Na7O10P4+4
Molecular Weight640.19 g/mol
Exact Mass639.98
IUPAC Nameheptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene
SMILESCc1ccccc1.Cc1ccccc1.O=[P+](O)O[P+](=O)O.O=[P+](O)O[P+](=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/2C7H8.7Na.2O5P2.7H/c2*1-7-5-3-2-4-6-7;;;;;;;;2*1-6(2)5-7(3)4;;;;;;;/h2*2-6H,1H3;;;;;;;;;;;;;;;;/q;;7*+1;;;7*-1/p+4
InChIKeySYIYDCGCUMJSDZ-UHFFFAOYSA-R
XLogP-15.59
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500640.19
LogP ≤ 5-15.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 158557091
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CID 22023820
sodium;hydride;phenol;toluene
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CID 175101937

Frequently Asked Questions

What is the IUPAC name of heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene?
The IUPAC name of heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene (CID 173444035) is heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene.
What is the SMILES notation for heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene?
The canonical SMILES for heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene is Cc1ccccc1.Cc1ccccc1.O=[P+](O)O[P+](=O)O.O=[P+](O)O[P+](=O)O.[H-].[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene?
The InChIKey is SYIYDCGCUMJSDZ-UHFFFAOYSA-R. The full InChI is InChI=1S/2C7H8.7Na.2O5P2.7H/c2*1-7-5-3-2-4-6-7;;;;;;;;2*1-6(2)5-7(3)4;;;;;;;/h2*2-6H,1H3;;;;;;;;;;;;;;;;/q;;7*+1;;;7*-1/p+4.
What are the key properties of heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene?
heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene has a molecular weight of 640.19 g/mol, XLogP of -15.59, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for heptasodium;hydride;bis(hydroxy-[hydroxy(oxo)phosphaniumyl]oxy-oxophosphanium);toluene is sourced from PubChem (CID 173444035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).