[diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate

C24H22O6P2 — CID 175348481

IUPAC[diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate
SMILESO=P(O)(O)OP(Oc1ccccc1)(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O6P2/c25-31(26,27)30-32(23-17-9-3-10-18-23,24-19-11-4-12-20-24,28-21-13-5-1-6-14-21)29-22-15-7-2-8-16-22/h1-20H,(H2,25,26,27)
InChIKeyAZJITEIZSHNADT-UHFFFAOYSA-N
MW468.38 g/mol
LogP5.20
Rot. Bonds8

About [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate

[diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate (PubChem CID 175348481) has the molecular formula C24H22O6P2 and a molecular weight of 468.38 g/mol. Its IUPAC name is [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate.

Molecular Properties

Compound Name[diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate
PubChem CID175348481
Molecular FormulaC24H22O6P2
Molecular Weight468.38 g/mol
Exact Mass468.09
IUPAC Name[diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate
SMILESO=P(O)(O)OP(Oc1ccccc1)(Oc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H22O6P2/c25-31(26,27)30-32(23-17-9-3-10-18-23,24-19-11-4-12-20-24,28-21-13-5-1-6-14-21)29-22-15-7-2-8-16-22/h1-20H,(H2,25,26,27)
InChIKeyAZJITEIZSHNADT-UHFFFAOYSA-N
XLogP5.20
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.38
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

triphenoxy(diphenyl)-λ5-phosphane
CID 54432182
CID 131875092
CID 131875092
phenoxy(tetraphenyl)-λ5-phosphane;hydrobromide
CID 173280486
cesium phenyl hydrogen phosphate
CID 175568082
diphenyl hydrogen phosphate;silane
CID 175425543
tris(diphenyl hydrogen phosphate);phosphane
CID 172751224
diphenyl hydrogen phosphate;dihydrate
CID 21115845
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
difluoro-dihydroxy-phenoxy-λ5-phosphane
CID 57267658
methane;phenyl phosphono hydrogen phosphate
CID 88820079
[hydroxy(phenoxy)phosphoryl]oxidanium
CID 102269872
ethane-1,2-diol;phenoxybenzene;phosphoric acid
CID 175293363

Frequently Asked Questions

What is the IUPAC name of [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate?
The IUPAC name of [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate (CID 175348481) is [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate.
What is the SMILES notation for [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate?
The canonical SMILES for [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate is O=P(O)(O)OP(Oc1ccccc1)(Oc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate?
The InChIKey is AZJITEIZSHNADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O6P2/c25-31(26,27)30-32(23-17-9-3-10-18-23,24-19-11-4-12-20-24,28-21-13-5-1-6-14-21)29-22-15-7-2-8-16-22/h1-20H,(H2,25,26,27).
What are the key properties of [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate?
[diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate has a molecular weight of 468.38 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenoxy(diphenyl)-λ5-phosphanyl] dihydrogen phosphate is sourced from PubChem (CID 175348481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).