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Chemical ID: 5213290
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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