hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate

C7H16Na6O4P+ — CID 173341084

IUPAChexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
SMILESO.O=[P+](O)C(O)c1ccccc1.[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H7O3P.6Na.H2O.6H/c8-7(11(9)10)6-4-2-1-3-5-6;;;;;;;;;;;;;/h1-5,7-8H;;;;;;;1H2;;;;;;/q;6*+1;;6*-1/p+1
InChIKeyVRPPKOBHPOOFHR-UHFFFAOYSA-O
MW333.11 g/mol
LogP-16.71
Rot. Bonds2

About hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate

hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate (PubChem CID 173341084) has the molecular formula C7H16Na6O4P+ and a molecular weight of 333.11 g/mol. Its IUPAC name is hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate.

Molecular Properties

Compound Namehexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
PubChem CID173341084
Molecular FormulaC7H16Na6O4P+
Molecular Weight333.11 g/mol
Exact Mass333.02
IUPAC Namehexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate
SMILESO.O=[P+](O)C(O)c1ccccc1.[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIInChI=1S/C7H7O3P.6Na.H2O.6H/c8-7(11(9)10)6-4-2-1-3-5-6;;;;;;;;;;;;;/h1-5,7-8H;;;;;;;1H2;;;;;;/q;6*+1;;6*-1/p+1
InChIKeyVRPPKOBHPOOFHR-UHFFFAOYSA-O
XLogP-16.71
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.11
LogP ≤ 5-16.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 54606769
hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 90333087
1,3-dihydroxypropan-2-one;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium
CID 70579978
benzhydryloxy-hydroxy-oxophosphanium
CID 66793238
(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 69001631
(2S)-2-hydroxy-2-phenylacetic acid;hydrate
CID 139987845
hydroxy-[[hydroxy(oxo)silyl]oxy-phenylmethyl]-oxophosphanium
CID 70398699
1,2-diphenylethane-1,2-diol
CID 159073808
carbanide;tris(phenylmethanediol);zinc;dihydrate
CID 20663003
phenylmethanediol;titanium;bis(titanium(3+));dihydrate
CID 139244939
potassium;sodium;hydride;2-phenylpropanedioic acid
CID 174967648
azane;(2R)-2-hydroxy-2-phenylacetic acid;hydrate
CID 70117102

Frequently Asked Questions

What is the IUPAC name of hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate?
The IUPAC name of hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate (CID 173341084) is hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate.
What is the SMILES notation for hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate?
The canonical SMILES for hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate is O.O=[P+](O)C(O)c1ccccc1.[H-].[H-].[H-].[H-].[H-].[H-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].
What is the InChIKey of hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate?
The InChIKey is VRPPKOBHPOOFHR-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7O3P.6Na.H2O.6H/c8-7(11(9)10)6-4-2-1-3-5-6;;;;;;;;;;;;;/h1-5,7-8H;;;;;;;1H2;;;;;;/q;6*+1;;6*-1/p+1.
What are the key properties of hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate?
hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate has a molecular weight of 333.11 g/mol, XLogP of -16.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexasodium;hydride;hydroxy-[hydroxy(phenyl)methyl]-oxophosphanium;hydrate is sourced from PubChem (CID 173341084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).