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Chemical ID: 3967178
Chemical ID:
3967178
Name [?]:
5-(1,2-dihydroxyethyl)-3,4-dihydroxy-5H-furan-2-one
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
InChi Info:
AuxInfo=1/0/N:1,2,4,5,3,6,12,11,10,9,7,8/rA:12cCCCCCCOOOOOO/rB:s1;s2;s3;d4;s5;d6;s3s6;s5;s4;s2;s1;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H8O6 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 2.46904 |
Area: | 324.044 |
Solvation: | -5.63207 |
Coulombic: | -84.449 |
Bond Count [?]
All: | 12 |
Single: | 10 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 176.124 |
H-Bond Donors: | 4 |
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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