Chemical ID: 6537686

C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O
Chemical ID:
6537686
Name [?]:
3-carboxy-3,5-dihydroxy-5-oxo-pentanoate
SMILES [?]:
C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O
InChi [?]:
InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,2,7,10,5,3,4,8,9,11,12,13/E:(1,2)(3,4)(7,8,9,10)(11,12)/gE:(1,2)/rA:13cCCOOCCCOO-COOO/rB:s1;d2;s2;s1;s5;s6;d7;s7;s5;d10;s10;s5;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7O7-
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:-39.2561
Area:326.71
Solvation:-47.4238
Coulombic:-64.8162
Bond Count [?]
All:12
Single:9
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:191.116
H-Bond Donors:3
H-Bond Acceptors:7
XLogP:-2.73
LogP (Chemaxon):-1.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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