ChemDB: Chemical Search
Download
Chemical ID: 5200183
Chemical ID:
5200183
Name [?]:
2-ethoxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
SMILES [?]:
CCOC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,10,8,7,6,5,4,11,12,13,14,3,9/rA:14cCCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s7;s4s8;s8;s10;s7;s6;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H16O6 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 2.65905 |
Area: | 368.707 |
Solvation: | -6.55864 |
Coulombic: | -84.1955 |
Bond Count [?]
All: | 14 |
Single: | 14 |
Double: | 0 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 208.209 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | -1.61 |
LogP (Chemaxon): | -1.14 |
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 |
---|