General
Preferred name
Cholecalciferol EP Impurity A
Synonyms
5,6-trans-Vitamin D3 ()
5,6-trans-Cholecalciferol ()
5,6-trans-Colecalciferol ()
P&D ID
PD133641
CAS
22350-41-0
Tags
available
natural product
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
12
Properties
(calculated by RDKit )
Molecular Weight
384.34
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
6
Ring Count
3
Aromatic Ring Count
0
cLogP
7.62
TPSA
20.23
Fraction CSP3
0.78
Chiral centers
5.0
Largest ring
6.0
QED
0.5
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Vitamin D Related/Nuclear Receptor
Target
VD/VDR
Source data
