Chemical ID: 3967178

C(C(C1C(=C(C(=O)O1)O)O)O)O
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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