[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid

C30H33O8P3 — CID 10438767

IUPAC[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid
SMILESO=P(O)(CP(=O)(CP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H33O8P3/c31-39(35-21-27-13-5-1-6-14-27,25-40(32,33)36-22-28-15-7-2-8-16-28)26-41(34,37-23-29-17-9-3-10-18-29)38-24-30-19-11-4-12-20-30/h1-20H,21-26H2,(H,32,33)
InChIKeyHARRNNXIQWAPOR-UHFFFAOYSA-N
MW614.51 g/mol
LogP8.43
Rot. Bonds16

About [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid

[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid (PubChem CID 10438767) has the molecular formula C30H33O8P3 and a molecular weight of 614.51 g/mol. Its IUPAC name is [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid.

Molecular Properties

Compound Name[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid
PubChem CID10438767
Molecular FormulaC30H33O8P3
Molecular Weight614.51 g/mol
Exact Mass614.14
IUPAC Name[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid
SMILESO=P(O)(CP(=O)(CP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1
InChIInChI=1S/C30H33O8P3/c31-39(35-21-27-13-5-1-6-14-27,25-40(32,33)36-22-28-15-7-2-8-16-28)26-41(34,37-23-29-17-9-3-10-18-29)38-24-30-19-11-4-12-20-30/h1-20H,21-26H2,(H,32,33)
InChIKeyHARRNNXIQWAPOR-UHFFFAOYSA-N
XLogP8.43
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.51
LogP ≤ 58.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid?
The IUPAC name of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid (CID 10438767) is [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid.
What is the SMILES notation for [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid?
The canonical SMILES for [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid is O=P(O)(CP(=O)(CP(=O)(OCc1ccccc1)OCc1ccccc1)OCc1ccccc1)OCc1ccccc1.
What is the InChIKey of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid?
The InChIKey is HARRNNXIQWAPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33O8P3/c31-39(35-21-27-13-5-1-6-14-27,25-40(32,33)36-22-28-15-7-2-8-16-28)26-41(34,37-23-29-17-9-3-10-18-29)38-24-30-19-11-4-12-20-30/h1-20H,21-26H2,(H,32,33).
What are the key properties of [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid?
[bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid has a molecular weight of 614.51 g/mol, XLogP of 8.43, 16 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [bis(phenylmethoxy)phosphorylmethyl-phenylmethoxyphosphoryl]methyl-phenylmethoxyphosphinic acid is sourced from PubChem (CID 10438767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).