Chemical ID: 5213290

C(C(C1C(=C(C(=O)O1)[O-])O)O)O
Chemical ID:
5213290
Name [?]:
5-(1,2-dihydroxyethyl)-4-hydroxy-2-oxo-5H-furan-3-olate
SMILES [?]:
C(C(C1C(=C(C(=O)O1)[O-])O)O)O
InChi [?]:
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/p-1
InChi Info:
AuxInfo=1/1/N:1,2,4,5,3,6,12,11,10,9,7,8/rA:12cCCCCCCOOO-OOO/rB:s1;s2;s3;d4;s5;d6;s3s6;s5;s4;s2;s1;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7O6-
All Atoms:12
Heavy Atoms:12
Chiral Atoms:2
ZAP Information [?]
Total:-34.1647
Area:324.044
Solvation:-42.2659
Coulombic:-61.3276
Bond Count [?]
All:12
Single:10
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:175.116
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.61
LogP (Chemaxon):-2.58

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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