Chemical ID: 5238556

CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)c3ccccc3)OC)O)C)O)O
Chemical ID:
5238556
Name [?]:
8-benzoyl-3-(1,2-dihydroxyhex-3-enyl)-9-hydroxy-8-methoxy-2-methyl-4-oxa-7-azaspiro[4.4]non-2-ene-1,6-dione
SMILES [?]:
CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)c3ccccc3)OC)O)C)O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H25NO8
All Atoms:31
Heavy Atoms:31
Chiral Atoms:5
ZAP Information [?]
Total:8.7151
Area:632.724
Solvation:-7.10299
Coulombic:-110.64
Bond Count [?]
All:33
Single:25
Double:8
Rotors:7
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:431.436
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:0.06
LogP (Chemaxon):1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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