ChemDB: Chemical Search
Download
Chemical ID: 6693274
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|