Chemical ID: 3965371

COC1C(C(C(C(O1)CO)O)O)O
Chemical ID:
3965371
Name [?]:
2-(hydroxymethyl)-6-methoxy-tetrahydropyran-3,4,5-triol
SMILES [?]:
COC1C(C(C(C(O1)CO)O)O)O
InChi [?]:
InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,9,7,6,5,4,3,10,11,12,13,2,8/rA:13cCOCCCCCOCOOOO/rB:s1;s2;s3;s4;s5;s6;s3s7;s7;s9;s6;s5;s4;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14O6
All Atoms:13
Heavy Atoms:13
Chiral Atoms:5
ZAP Information [?]
Total:1.84662
Area:340.269
Solvation:-6.6601
Coulombic:-83.9666
Bond Count [?]
All:13
Single:13
Double:0
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:194.182
H-Bond Donors:4
H-Bond Acceptors:6
XLogP:-2.04
LogP (Chemaxon):-1.48

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue