(2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

C32H31O5P — CID 122195672

IUPAC(2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESO=[P@]1(c2ccccc2)C=C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C32H31O5P/c33-38(29-19-11-4-12-20-29)25-31(35-22-27-15-7-2-8-16-27)32(36-23-28-17-9-3-10-18-28)30(37-38)24-34-21-26-13-5-1-6-14-26/h1-20,25,30,32H,21-24H2/t30-,32-,38-/m1/s1
InChIKeyQYDDCXUJJVGCAB-OJYMKHDISA-N
MW526.57 g/mol
LogP6.85
Rot. Bonds11

About (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide

(2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (PubChem CID 122195672) has the molecular formula C32H31O5P and a molecular weight of 526.57 g/mol. Its IUPAC name is (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.

Molecular Properties

Compound Name(2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
PubChem CID122195672
Molecular FormulaC32H31O5P
Molecular Weight526.57 g/mol
Exact Mass526.19
IUPAC Name(2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide
SMILESO=[P@]1(c2ccccc2)C=C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
InChIInChI=1S/C32H31O5P/c33-38(29-19-11-4-12-20-29)25-31(35-22-27-15-7-2-8-16-27)32(36-23-28-17-9-3-10-18-28)30(37-38)24-34-21-26-13-5-1-6-14-26/h1-20,25,30,32H,21-24H2/t30-,32-,38-/m1/s1
InChIKeyQYDDCXUJJVGCAB-OJYMKHDISA-N
XLogP6.85
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide 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 (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The IUPAC name of (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide (CID 122195672) is (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide.
What is the SMILES notation for (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The canonical SMILES for (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is O=[P@]1(c2ccccc2)C=C(OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1.
What is the InChIKey of (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
The InChIKey is QYDDCXUJJVGCAB-OJYMKHDISA-N. The full InChI is InChI=1S/C32H31O5P/c33-38(29-19-11-4-12-20-29)25-31(35-22-27-15-7-2-8-16-27)32(36-23-28-17-9-3-10-18-28)30(37-38)24-34-21-26-13-5-1-6-14-26/h1-20,25,30,32H,21-24H2/t30-,32-,38-/m1/s1.
What are the key properties of (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide?
(2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide has a molecular weight of 526.57 g/mol, XLogP of 6.85, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R,6R)-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-5,6-dihydro-1,2λ5-oxaphosphinine 2-oxide is sourced from PubChem (CID 122195672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).