trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane

C15H16Na3O6P2+ — CID 162188865

IUPACtrisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])CP(=O)(OCc1ccccc1)OCc1ccccc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C15H18O6P2.3Na/c16-22(17,18)13-23(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15;;;/h1-10H,11-13H2,(H2,16,17,18);;;/q;3*+1/p-2
InChIKeyZQAIWSBDWLATRQ-UHFFFAOYSA-L
MW423.21 g/mol
LogP-6.50
Rot. Bonds8

About trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane

trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane (PubChem CID 162188865) has the molecular formula C15H16Na3O6P2+ and a molecular weight of 423.21 g/mol. Its IUPAC name is trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Nametrisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
PubChem CID162188865
Molecular FormulaC15H16Na3O6P2+
Molecular Weight423.21 g/mol
Exact Mass423.01
IUPAC Nametrisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane
SMILESO=P([O-])([O-])CP(=O)(OCc1ccccc1)OCc1ccccc1.[Na+].[Na+].[Na+]
InChIInChI=1S/C15H18O6P2.3Na/c16-22(17,18)13-23(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15;;;/h1-10H,11-13H2,(H2,16,17,18);;;/q;3*+1/p-2
InChIKeyZQAIWSBDWLATRQ-UHFFFAOYSA-L
XLogP-6.50
TPSA98.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 5-6.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Dibenzyl phosphate
CID 74189
Tribenzyl phosphate
CID 74359
Diethyl (hydroxy(phenyl)methyl)phosphonate
CID 238674
Benzyl diethyl phosphite
CID 76006
Benzyl diphenylphosphinate
CID 298803
Phosphinic acid, bis(hydroxyphenylmethyl)-
CID 120172
Tetrabenzyl pyrophosphate
CID 563183
Dibenzyl phosphite
CID 6334615
Phosphinic acid, (hydroxyphenylmethyl)phenyl-, ethyl ester
CID 2907640
Benzyl dibutyl phosphate
CID 21712021
Phosphonic acid, P,P'-(hydroxyphenylmethylene)bis-, P,P,P',P'-tetramethyl ester
CID 122574
[Dimethoxyphosphoryl(phenyl)methyl] dimethyl phosphate
CID 10193340

Frequently Asked Questions

What is the IUPAC name of trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane (CID 162188865) is trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane is O=P([O-])([O-])CP(=O)(OCc1ccccc1)OCc1ccccc1.[Na+].[Na+].[Na+].
What is the InChIKey of trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane?
The InChIKey is ZQAIWSBDWLATRQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H18O6P2.3Na/c16-22(17,18)13-23(19,20-11-14-7-3-1-4-8-14)21-12-15-9-5-2-6-10-15;;;/h1-10H,11-13H2,(H2,16,17,18);;;/q;3*+1/p-2.
What are the key properties of trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane?
trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane has a molecular weight of 423.21 g/mol, XLogP of -6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for trisodium;bis(phenylmethoxy)phosphorylmethyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 162188865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).