Selenophosphoric acid O,O'-diisopropyl ester Se-phenyl ester

ID: ALA3263307

Chembl Id: CHEMBL3263307

PubChem CID: 11461382

Max Phase: Preclinical

Molecular Formula: C12H19O3PSe

Molecular Weight: 321.22

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC(C)OP(=O)(OC(C)C)[Se]c1ccccc1

Standard InChI:  InChI=1S/C12H19O3PSe/c1-10(2)14-16(13,15-11(3)4)17-12-8-6-5-7-9-12/h5-11H,1-4H3

Standard InChI Key:  YRLRVIFGJHCCMH-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3263307

   Diisopropoxyphosphorylselanylbenzene

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 321.22

Molecular Weight (Monoisotopic): 322.0237

AlogP:

#Rotatable Bonds:

Polar Surface Area:

Molecular Species:

HBA:

HBD:

#RO5 Violations:

HBA (Lipinski):

HBD (Lipinski):

#RO5 Violations (Lipinski):

CX Acidic pKa:

CX Basic pKa:

CX LogP:

CX LogD:

Aromatic Rings:

Heavy Atoms:

QED Weighted:

Np Likeness Score:

References

1. Mitra S, Mukherjee S, Sen SK, Hajra A..  (2014)  Environmentally benign synthesis and antimicrobial study of novel chalcogenophosphates.,  24  (9): [PMID:24685541] [10.1016/j.bmcl.2014.03.008]

Source

Source(1):

• Scientific Literature