Chemical ID: 6693274

C(=O)C(C1C(C(C(=O)O1)O)O)O
Chemical ID:
6693274
Name [?]:
2-(3,4-dihydroxy-5-oxo-tetrahydrofuran-2-yl)-2-hydroxy-acetaldehyde
SMILES [?]:
C(=O)C(C1C(C(C(=O)O1)O)O)O
InChi [?]:
InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H
InChi Info:
AuxInfo=1/0/N:1,3,5,6,4,7,2,12,11,10,8,9/rA:12cCOCCCCCOOOOO/rB:d1;s1;s3;s4;s5;s6;d7;s4s7;s6;s5;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H8O6
All Atoms:12
Heavy Atoms:12
Chiral Atoms:4
ZAP Information [?]
Total:1.45434
Area:322.763
Solvation:-6.61472
Coulombic:-74.591
Bond Count [?]
All:12
Single:10
Double:2
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:176.124
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-1.49
LogP (Chemaxon):-2.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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