Chemical ID: 4559628

c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O
Chemical ID:
4559628
Name [?]:
3,4,5-trihydroxy-6-(4-nitrophenoxy)-tetrahydropyran-2-carboxylic acid
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)C(=O)O)O)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H13NO9
All Atoms:22
Heavy Atoms:22
Chiral Atoms:5
ZAP Information [?]
Total:-0.29666
Area:469.514
Solvation:-12.0345
Coulombic:-104.809
Bond Count [?]
All:23
Single:18
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:315.233
H-Bond Donors:4
H-Bond Acceptors:10
XLogP:0.02
LogP (Chemaxon):0.36

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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