Chemical ID: 4163729

c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
Chemical ID:
4163729
Name [?]:
2-(hydroxymethyl)-6-(4-nitrophenoxy)-tetrahydropyran-3,4,5-triol
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H15NO8
All Atoms:21
Heavy Atoms:21
Chiral Atoms:5
ZAP Information [?]
Total:0.014922
Area:464.28
Solvation:-11.5921
Coulombic:-95.7815
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.249
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:-0.35
LogP (Chemaxon):0.25

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue