Chemical ID: 3967203

C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
Chemical ID:
3967203
Name [?]:
4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyhexane-1,2,3,5,6-pentaol
SMILES [?]:
C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
InChi [?]:
InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2
InChi Info:
AuxInfo=1/0/N:16,11,1,15,10,2,14,3,4,5,9,6,17,12,23,18,13,19,22,21,20,7,8/rA:23cCCCCCCOOCCCOOCCCOOOOOOO/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;s10;s9;s14;s15;s16;s15;s14;s5;s4;s3;s1;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H24O11
All Atoms:23
Heavy Atoms:23
Chiral Atoms:9
ZAP Information [?]
Total:0.302898
Area:505.941
Solvation:-12.3456
Coulombic:-167.217
Bond Count [?]
All:23
Single:23
Double:0
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:344.312
H-Bond Donors:9
H-Bond Acceptors:11
XLogP:-5.43
LogP (Chemaxon):-3.42

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