General
Preferred name
mannite hexanitrate
Synonyms
MANNITOL HEXANITRATE ()
Hexanitrate of d-mannitol ()
Mannityl Nitrate ()
Nitranitol ()
NA0133 ()
Nitromannite ()
Nitromannitol ()
D-mannitol hexanitrate ()
P&D ID
PD072466
CAS
130-39-2
15825-70-4
Tags
drug
Drug Status
approved
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
3
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Properties
(calculated by RDKit )
Molecular Weight
451.99
Hydrogen Bond Acceptors
18
Hydrogen Bond Donors
0
Rotatable Bonds
17
Ring Count
0
Aromatic Ring Count
0
cLogP
-2.29
TPSA
314.22
Fraction CSP3
1.0
Chiral centers
4.0
Largest ring
0.0
QED
0.17
QED
0.17
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
