(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol

C32H33O6P — CID 56964803

IUPAC(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol
SMILESO=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C32H33O6P/c33-32-31(37-23-27-17-9-3-10-18-27)30(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-39(32,34)28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31+,32+,39+/m1/s1
InChIKeyBFDNKVJGHOSKET-DHNIRKAVSA-N
MW544.58 g/mol
LogP5.69
Rot. Bonds11

About (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol

(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol (PubChem CID 56964803) has the molecular formula C32H33O6P and a molecular weight of 544.58 g/mol. Its IUPAC name is (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol.

Molecular Properties

Compound Name(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol
PubChem CID56964803
Molecular FormulaC32H33O6P
Molecular Weight544.58 g/mol
Exact Mass544.20
IUPAC Name(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol
SMILESO=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O
InChIInChI=1S/C32H33O6P/c33-32-31(37-23-27-17-9-3-10-18-27)30(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-39(32,34)28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31+,32+,39+/m1/s1
InChIKeyBFDNKVJGHOSKET-DHNIRKAVSA-N
XLogP5.69
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.58
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol 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 (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol?
The IUPAC name of (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol (CID 56964803) is (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol.
What is the SMILES notation for (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol?
The canonical SMILES for (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol is O=[P@@]1(c2ccccc2)O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol?
The InChIKey is BFDNKVJGHOSKET-DHNIRKAVSA-N. The full InChI is InChI=1S/C32H33O6P/c33-32-31(37-23-27-17-9-3-10-18-27)30(36-22-26-15-7-2-8-16-26)29(24-35-21-25-13-5-1-6-14-25)38-39(32,34)28-19-11-4-12-20-28/h1-20,29-33H,21-24H2/t29-,30-,31+,32+,39+/m1/s1.
What are the key properties of (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol?
(2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol has a molecular weight of 544.58 g/mol, XLogP of 5.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S,6R)-2-oxo-2-phenyl-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)-1,2λ5-oxaphosphinan-3-ol is sourced from PubChem (CID 56964803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).