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

[fluoro(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 14175848
benzyl 2-bis(phenylmethoxy)phosphorylacetate
CID 87986424
bis(phenylmethoxy)phosphorylboranuide
CID 157313450
[benzyl(chloromethoxy)phosphoryl]oxymethylbenzene
CID 57149072
bis(phenylmethoxy)phosphorylmethyl-oxo-phenylmethoxyphosphanium
CID 155609893
3-bis(phenylmethoxy)phosphorylpropanoic acid
CID 46223844
1-bis(phenylmethoxy)phosphorylpropan-2-one
CID 176899401
dibenzyl hydrogen phosphate;silver
CID 85301331
dibenzyl hydrogen phosphate;dibenzyl phosphate;bis(tetramethylazanium);hydroxide
CID 160798114
[[bromo(difluoro)methyl]-phenylmethoxyphosphoryl]oxymethylbenzene
CID 19751870
[phenylmethoxy(propan-2-yloxymethyl)phosphoryl]oxymethylbenzene
CID 59131511
[but-2-enyl(phenylmethoxy)phosphoryl]oxymethylbenzene
CID 71417020

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).